input word = C00006756

Metabolite InformationStructural formula
Name Pelargonidin 3-p-coumarylglucoside
Formula C30H27O12
Mw 579.15025133
CAS RN
C_ID C00006756 ,
InChIKey VZPBBOAZFCREMQ-LHXYVNGMNA-O
InChICode InChI=1S/C30H26O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-26(36)27(37)28(38)30(42-24)41-23-13-20-21(34)11-19(33)12-22(20)40-29(23)16-4-8-18(32)9-5-16/h1-13,24,26-28,30,36-38H,14H2,(H3-,31,32,33,34,35)/p+1/t24-,26-,27+,28-,30-/m1/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(cc1)O)O)O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHyacinthaceaeUrginea maritima Ref.
PlantaeVitaceaeVitis vinifera Ref.
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OrganismVitis vinifera
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Vega,Phytochem.,11,(1972),2896

Strack,Z.Naturforsch.C.,35,(1980),533