input word = C00006011

Metabolite InformationStructural formula
Name Isorhamnetin 7-(6''-p-coumarylglucoside)
Buddlenoid B
3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
Formula C31H28O14
Mw 624.14790561
CAS RN 142768-55-6
C_ID C00006011 ,
InChIKey FSHKRIFUEGZCIN-WEAIHMANNA-N
InChICode InChI=1S/C31H28O14/c1-41-20-10-15(5-8-18(20)33)30-28(39)26(37)24-19(34)11-17(12-21(24)44-30)43-31-29(40)27(38)25(36)22(45-31)13-42-23(35)9-4-14-2-6-16(32)7-3-14/h2-12,22,25,27,29,31-34,36,38-40H,13H2,1H3/b9-4+/t22-,25-,27+,29-,31-/m1/s1
SMILES c1cc(ccc1/C=C/C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc1cc2c(c(c1)O)c(=O)c(c(o2)c1ccc(c(c1)OC)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBuddlejaceaeBuddleja coriacea Ref.
zoom in