input word = C00011121

Metabolite InformationStructural formula
Name 2''-O-Vanilloylvitexin
Formula C29H26O13
Mw 582.13734092
CAS RN 861691-31-8
C_ID C00011121 ,
InChIKey QMQSMTIVSXVODH-RXOPEFIWNA-N
InChICode InChI=1S/C29H26O13/c1-39-20-8-13(4-7-15(20)32)29(38)42-28-25(37)24(36)21(11-30)41-27(28)23-17(34)9-16(33)22-18(35)10-19(40-26(22)23)12-2-5-14(31)6-3-12/h2-10,21,24-25,27-28,30-34,36-37H,11H2,1H3/t21-,24+,25-,27-,28+/m0/s1
SMILES COc1cc(C(=O)OC2[C@@H](O)[C@H](O)C(CO)O[C@H]2c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeTrollius ledebouri Ref.
PlantaeRanunculaceaeTrollius ledebourii Ref.
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