Electronic Supplementary Material (ESI) for Analytical Methods.
This journal is © The Royal Society of Chemistry 2016
Supplementary Table S1. Chemical information database for the components of DS
and HH
Source
Compound name
Molecular formula
HH
HH
HH
HH
HH
HH
HH
HH
HH
HH
HH
HH
HH
HH
HH
HH
HH
DS
HH
DS
DS
HH
HH
DS
DS
HH
HH
HH
HH
DS
HH
HH
DS
HH
HH
HH
DS
DS
HH
HH
DS
(−)-17-Hydroxy-16beta-kauran-19-oicacid
(−)-α-cedrene
(3E,5Z)-1,3,5-tridecatrien-7,9,11-triyne
(E)-1,3-tridecadiene-5,7,9,11-tetrayne
(E)-2-hexenal
(E)-3-Tridecene-5,7,9,11-tetrayne-1,2-diol
(E,E)-1,3,5-tridecatriene-7,9,11-triyne
(E,E)-2,4-decadienal
(E,E,E)-1,3,5,11-tridecatetraene-7,9-diyne
(Z)-1,11-tridecadiene-3,5,7,9-tetrayne
(Z)-1,3-tridecadiene-5,7,9,11-tetrayne
(Z,E)-1,3,11-tridecatriene-5,7,9-triyne
(Z,Z)-1,3,11-tridecatriene-5,7,9-triyne
(Z,Z)-1,8,11-heptadecatriene
(Z,Z,Z)-1,8,11,14-heptadecatetraene
1,11-tridecadiene-3,5,7,9-tetrayne
1,2,3-trimethoxy-5-methylbenzene
1,2-dihydrotanshinquinone
1,3,11-tridecatrien-5,7,9-triyne
1,5-dihydroxy-3-methylanthraquinone
12-hydroxy-6,7-secoabieta-8,11,13-triene-6,7-dial
1-heptadecene
1-hexadecene
1-hydroxytaxinine A
1-ketoisocryptotanshinone
1-pentadecene
1-pentene-3-ol
1-tetradecene
1-tridecene-3,5,7,9,11-pentayne
2,3,19-trihydroxyurs-12-en-28-oic acid
20-hexadecanoylingenol
2-hexanol
2-isopropyl-8-methylphenanthrene-3,4-dione
2-methylbutyric acid
3,11-Tridecadiene-5,7,9-triyne-1,2-diol
3,4-dihydroxyrottlerin
3alpha-hydroxytanshinone IIA
3beta-hydroxytanshinone IIA
3-hexanol
3-methylbutyric acid
3-O-acetyloleanolic acid
C20H32O3
C15H24
C13H10
C13H8
C6H10O
C13H10O2
C13H10
C10H16O
C13H12
C13H8
C13H8
C13H10
C13H10
C17H30
C17H28
C13H8
C10H14O3
C18H14O3
C13H10
C15H10O4
C20H28O3
C17H34
C16H32
C26H36O9
C19H18O4
C15H30
C5H10O
C14H28
C13H6
C30H48O5
C36H58O6
C6H14O
C18H16O2
C5H10O2
C13H12O2
C30H28O10
C19H18O4
C19H18O4
C6H14O
C5H10O2
C32H50O4
DS
DS
HH
HH
HH
HH
product
DS
HH
HH
HH
HH
HH
HH
HH
HH
HH
DS
DS
DS
DS
HH
HH
HH
HH
HH
HH
HH
DS
HH
DS
HH
HH
HH
HH
HH
HH
HH
HH
HH
HH
HH
3-β-hydroxymethylenetanshiquinone
4-methylsalicylaldehyde
4-terpineol
5,6,7,4-tetrahydroxyflavanone 6,7-di-O-b-D-glucoside
5,6-dehydrosugiol
5,7-dihydroxy-4-methoxyflavone-7-O-b-Dapiofuranosyl-(1-6)-O-b-D-glucoside
5-hydroxymethylfurfural
6,12-dihydroxyabieta-5,8,11,13-tetraen-7-one
6,8-nonacosanediol
6-hydroxykaempferol
6-hydroxykaempferol-3,6,7-tri-O-glucoside
6-hydroxykaempferol-3,6-di-O-glucoside
6-hydroxykaempferol-3,6-di-O-glucoside-7-Oglucuronide
6-hydroxykaempferol-3-O-glucoside
6-hydroxykaempferol-3-O-rutinoside-6-O-glucoside
6-hydroxykaempferol-6,7-di-O-glucoside
6-hydroxykaempferol-7-O-glucoside
6-hydroxymethyllumazin
6α-hydroxysugiol
7-dehydroabietanone
8β-hydroxy-9(11),13-abietadien-12-one
adenosine
alexandrin
alpha-onocerin
anhydrosafflor yellow B
apigenin
arabinose
arachidic acid
baicalin
benzothiazole
caffeic acid
caffeic acid
carthamin
carthamone
cartorimine
cartormin
carvacrol
caryophyllene
caryophyllene epoxide
chlorogenic acid
cholesterol
cis-9-octadecenoic acid
C18H14O4
C8H8O2
C10H18O
C27H32O16
C20H26O2
C27H30O14
C6H6O3
C20H26O3
C29H60O2
C15H10O7
C33H40O22
C27H30O17
C33H38O23
C21H20O12
C33H40O21
C27H30O17
C21H20O12
C7H6N4O3
C20H28O3
C20H28O
C20H30O2
C10H13N5O4
C35H60O6
C30H50O2
C48H52O26
C15H10O5
C5H10O5
C20H40O2
C21H18O11
C7H5NS
C9H8O4
C9H8O4
C43H42O22
C21H20O11
C15H14O6
C27H29NO13
C10H14O
C15H24
C15H24O
C16H18O9
C27H46O
C18H34O2
HH
HH
HH
DS
DS
DS
DS
HH
DS
DS
DS
DS
DS
DS
DS
DS
DS
DS
DS
DS
HH
DS
HH
DS
DS
HH
DS
DS
HH
DS
DS
DS
DS
DS
DS
DS
DS
HH
HH
HH
DS
DS
DS
DS
clinodiside A
cnidilin
copaene
corosolicacid
cryptoacetalide
cryptotanshinone
cryptoxanthin
D-(+)-Galactose
danshenol A
danshenol B
danshenol C
danshenspiroketallactone
danshensu
danshensuan B
danshenxinkun A
danshenxinkun B
danshenxinkun C
danshenxinkun D
daphneolone
daucosterol
daucosterol
dauricine
decanal
dehydromiltirone
dehydromorroniaglycone
dehydroshikimic acid
dehydrotremetone
deoxyneocryptotanshinone
dihydroactinidiolide
dihydroisotanshinone I
dihydroisotanshinone II
dihydrokaranone
dihydroneotanshinlactone
dihydronortanshinone
dihydrotanshinone I
dihydrovalepotriate
dimethyllithospermate
dipalmitin
D-mannose
dopa
eleutheroside A
epi-cryptoacetalide
epi-danshenspiroketallactone
epi-danshenspiroketallactone A
C48H78O19
C17H16O5
C15H24
C30H48O4
C18H22O3
C19H20O3
C40H56O
C6H12O6
C21H20O4
C22H26O4
C21H20O4
C17H16O3
C9H10O5
C36H30O16
C18H16O4
C18H16O3
C16H12O3
C21H20O4
C17H18O3
C35H60O6
C35H60O6
C38H44N2O6
C10H20O
C19H20O2
C11H14O5
C7H8O5
C13H12O2
C15H13N3O
C11H16O2
C18H14O3
C18H14O3
C15H22O
C17H14O3
C17H14O4
C18H14O3
C23H34O8
C29H26O12
C35H68O5
C6H12O6
C9H11NO4
C35H60O6
C18H22O3
C17H16O3
C20H20O5
HH
HH
HH
DS
DS
DS
HH
HH
DS
HH
HH
DS
DS
DS
DS
DS
DS
DS
DS
DS
DS
HH
HH
HH
HH
HH
HH
HH
HH
HH
HH
DS
DS
DS
DS
DS
HH
HH
HH
DS
DS
DS
DS
DS
eriodictyol
ethylacetate
ethylbenzene
ferruginol
ferulic acid
gamma-sitosterol
gamma-sitosterol
guanosine
heteratisine
humulene
hydroxysafflor yellow A
hydroxytanshinone IIA
isocryptotanshinone
isocucurbitacin D
isoferulic acid
isoimperatorin
isotanshinone I
isotanshinone IIA
isotanshinone IIB
isotenulin
isototanshinone
kaempferol
kaempferol-3-O-glucoside
kaempferol-3-O-glucoside-7-O-glucuronide
kaempferol-3-O-rutinoside
kaempferol-3-O-sophorose
L-(+)-arabinose
lauric aldehyde
linoleic acid
linoleylacetate
linolic acid
litherospermic acid dimethyl ester
litherospermic acid monomethyl ester
lithospermate B
lithospermic acid
lithospermic acid B
luteolin
lysine
methylcinnamate
methyldihydronortanshinonate
methylenetanshinquinone
methylrosmarinate
methyltanshinonate
methyltanshinquinon
C15H12O6
C4H8O2
C8H10
C20H30O
C10H10O4
C29H50O
C29H50O
C10H13N5O5
C22H33NO5
C15H24
C27H32O16
C19H18O4
C19H20O3
C30H44O7
C10H10O4
C16H14O4
C18H12O3
C19H18O3
C19H18O4
C17H22O5
C17H12O3
C15H10O6
C21H20O11
C27H28O17
C27H30O15
C27H30O16
C5H10O5
C12H24O
C18H32O2
C20H36O2
C18H32O2
C29H26O12
C28H24O12
C36H30MgO16
C27H22O12
C36H30O16
C15H10O6
C6H14N2O2
C10H10O2
C20H20O5
C18H14O3
C19H18O8
C20H18O5
C18H16O3
DS
DS
DS
DS
DS
DS
DS
DS
HH
HH
HH
HH
HH
DS
DS
DS
DS
DS
HH
DS
DS
DS
DS
DS
DS
DS
HH
DS
DS
HH
DS
HH
DS
DS
DS
DS
DS
DS
DS
DS
DS
HH
HH
HH
miltiodiol
miltionone I
miltionone II
miltipolone
miltirone
mimengoside A
monomethyl lithospermate B
mono-O-methylwightin
myricetin
myristic acid
myristicin
neocarthamin
neocembrene
neocryptotanshinone II
neosalvianen
neotanshinone B
neotanshinone C
neotigogenin
nonacosane
normiltioane
nortanshinone
nortrachelogenin
oleanolic acid
oleoyl danshenxinkun A
oleoyl neocryptotanshinone
O-methyltaxodine
onjixanthone II
paramiltioic acid
p-coumaric acid
phenylacetaldehyde
phenylalanine
precarthamin
prolithospermic acid
protocatechuic acid
protocatechuic acid-3-glucoside
protocatechuic aldehyde
przewalskin
przewanoic acid B
przewaquinone A
przewaquinone B
przewaquinone C
pyrocatechol
quercetin
quercetin-3,7-di-O-glucoside
C19H22O3
C19H20O4
C19H20O4
C19H24O3
C19H22O2
C54H88O21
C18H22O5
C19H18O7
C15H10O8
C14H28O2
C11H12O3
C21H22O11
C20H32
C17H18O3
C21H21NO2
C18H16O3
C16H12O3
C27H44O3
C29H60
C18H26O2
C17H14O5
C20H22O7
C30H48O3
C36H48O5
C37H54O5
C20H29NO3
C15H12O7
C19H24O5
C9H8O3
C8H8O
C9H11NO2
C44H46O24
C18H14O8
C7H6O4
C13H16O9
C7H6O3
C18H24O2
C29H42O4
C19H18O4
C18H12O4
C18H16O4
C6H6O2
C15H10O7
C27H30O17
HH
HH
HH
HH
DS
DS
HH
HH
HH
HH
HH
HH
HH
HH
DS
DS
DS
DS
DS
DS
DS
DS
DS
DS
DS
DS
DS
DS
DS
DS
DS
DS
DS
DS
DS
DS
DS
HH
DS
HH
DS
HH
DS
DS
quercetin-3-O-glucoside
quercetin-3-O-rhamnoside-7-O-glucuronide
quercetin-7-O-glucoside
rhamnose
rosmarinic acid
rosmarinine
rutin
safflomin A
safflomin C
safflor yellow A
safflor yellow B
safflower yellow
safranal
sagittariol
salonitenolide
salviadione
salvianen
salvianic acid A
salvianic acid B
salvianic acid C
salvianolic acid A
salvianolic acid B
salvianolic acid C
salvianolic acid D
salvianolic acid E
salvianolic acid F
salvianolic acid G
salvianolic acid I
salvianolic acid J
salvianolic acid N
salvigenin
salvilenone
salvinal
salvinone
salviol
salviolone
samaderin A
scutellarin
sodium danshensu
stearin
stigmasterol
stigmasterol
succinic acid
sugiol
C21H20O12
C27H28O17
C21H20O12
C6H12O5
C18H16O8
C18H27NO6
C27H30O16
C27H32O16
C30H30O14
C27H30O15
C48H54O27
C43H42O22
C10H14O
C19H32O2
C15H20O4
C19H19NO2
C21H21NO2
C9H10O5
C36H30O16
C18H18O9
C26H22O10
C36H30O16
C26H20O10
C20H18O10
C36H30O16
C17H14O6
C18H12O7
C27H22O12
C27H22O12
C26H22O10
C18H16O6
C20H20O2
C20H20O6
C18H20O2
C20H30O2
C18H20O2
C18H18O6
C21H18O12
C9H9NaO5
C57H110O6
C29H48O
C29H48O
C4H6O4
C20H28O2
DS
DS
DS
DS
DS
DS
DS
DS
DS
DS
DS
DS
DS
DS
DS
DS
DS
DS
DS
DS
HH
HH
HH
HH
DS
HH
HH
HH
HH
HH
HH
HH
HH
HH
tanshinaldehyde
tanshinaldehyde II
tanshindiol A
tanshindiol A
tanshindiol B
tanshindiol C
tanshinketolactone
tanshinlactone
tanshinol A
tanshinol B
tanshinone I
tanshinone IIA
tanshinone IIB
tanshinone VI
tanshiquinone A
tanshiquinone B
tanshiquinone C
taraxanthin
tetrahydrotanshione
tigogenin
tinctormine
tracheloside
trans-9-octadecenoic acid
uridine
ursolic acid
verbenone
xylene
xylose
α-D-glucose
β-caryophyllene
β-D-glucose
β-farnesene
β-ionone
β-sitosterol
C19H18O4
C19H16O4
C18H16O5
C18H16O5
C18H16O5
C18H16O5
C18H14O4
C17H12O3
C18H12O4
C18H16O4
C18H12O3
C19H18O3
C19H18O4
C18H16O4
C18H16O4
C18H16O3
C16H12O3
C40H56O3
C18H16O3
C27H44O3
C21H20NO9
C27H34O12
C18H34O2
C9H12N2O6
C30H48O3
C10H14O
C8H10
C5H10O5
C6H12O6
C15H24
C6H12O6
C15H24
C13H20O
C29H50O