input word = C00008211

Metabolite InformationStructural formula
Name Prunin 6''-p-coumarate
Formula C30H28O12
Mw 580.15807636
CAS RN 96686-70-3
C_ID C00008211 ,
InChIKey PLORCKNHUZJPKH-ONEMPUCINA-N
InChICode InChI=1S/C30H28O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-11-20(33)26-21(34)13-22(41-23(26)12-19)16-4-8-18(32)9-5-16/h1-12,22,24,27-33,36-38H,13-14H2/b10-3+/t22-,24+,27+,28-,29-,30+/m0/s1
SMILES c1(cc(c2c(c1)O[C@@H](CC2=O)c1ccc(cc1)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(cc1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeBlepharis sindica Ref.
PlantaeAnacardiaceaeAnacardium occidentale Ref.
PlantaeLabiataeAnisomeles indica Ref.
PlantaeLabiataeAnisomeles ovata Ref.
PlantaeLabiataePhlomis aurea Ref.
zoom in