input word = C00062485

Metabolite InformationStructural formula
Name Petunidin 3-O-(6-O-coumaryl)glucoside
Formula C31H29O14
Mw 625.15573064
CAS RN 623571-83-5
C_ID C00062485
InChIKey KTFQEFWNLAUGAX-VEZAKBLNSA-O
InChICode InChI=1S/C31H28O14/c1-41-22-9-15(8-20(35)26(22)37)30-23(12-18-19(34)10-17(33)11-21(18)43-30)44-31-29(40)28(39)27(38)24(45-31)13-42-25(36)7-4-14-2-5-16(32)6-3-14/h2-12,24,27-29,31,38-40H,13H2,1H3,(H4-,32,33,34,35,36,37)/p+1/t24-,27-,28+,29-,31-/m1/s1
SMILES COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2OC2OC(COC(=O)C=Cc3ccc(O)cc3)C(O)C(O)C2O)cc(O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCatharanthus roseus Ref.
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OrganismCatharanthus roseus
Referencehttps://doi.org/10.1016/S0367-326X(02)00296-4