input word = C00013678

Metabolite InformationStructural formula
Name Chrysoeriol 7-(3''-Z-p-coumaroylglucoside)
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[[3-O-[(2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
Formula C31H28O13
Mw 608.15299098
CAS RN 498547-25-4
C_ID C00013678 ,
InChIKey AZHOJNKUISNFQR-BSPMWWLFNA-N
InChICode InChI=1S/C31H28O13/c1-40-23-10-16(5-8-19(23)34)22-13-21(36)27-20(35)11-18(12-24(27)42-22)41-31-29(39)30(28(38)25(14-32)43-31)44-26(37)9-4-15-2-6-17(33)7-3-15/h2-13,25,28-35,38-39H,14H2,1H3/b9-4-/t25-,28-,29-,30+,31-/m1/s1
SMILES c1c(cc(c(c1)O)OC)c1oc2c(c(=O)c1)c(cc(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)OC(=O)/C=C\c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeBallota acetabulosa Ref.
zoom in