input word = C00013634

Metabolite InformationStructural formula
Name Hispidulin 7-methylglucuronide
5-Hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid methyl ester
Formula C23H22O12
Mw 490.11112617
CAS RN 168207-86-1
C_ID C00013634 ,
InChIKey FAWDUWSALXIKNE-ZWCGFDSSNA-N
InChICode InChI=1S/C23H22O12/c1-31-20-14(34-23-19(29)17(27)18(28)21(35-23)22(30)32-2)8-13-15(16(20)26)11(25)7-12(33-13)9-3-5-10(24)6-4-9/h3-8,17-19,21,23-24,26-29H,1-2H3/t17-,18-,19+,21-,23+/m0/s1
SMILES COC(=O)C1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2OC)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea furfuracea Ref.
zoom in