input word = C00006861

Metabolite InformationStructural formula
Name Peonidin 3-(6''-p-coumarylglucoside)
Formula C31H29O13
Mw 609.16081601
CAS RN 139973-96-9,71802-54-5,114128-01-7
C_ID C00006861 ,
InChIKey MFHMTMFSFNMTFQ-MPMBALDSNA-O
InChICode InChI=1S/C31H28O13/c1-40-23-10-16(5-8-20(23)34)30-24(13-19-21(35)11-18(33)12-22(19)42-30)43-31-29(39)28(38)27(37)25(44-31)14-41-26(36)9-4-15-2-6-17(32)7-3-15/h2-13,25,27-29,31,37-39H,14H2,1H3,(H3-,32,33,34,35,36)/p+1/t25-,27-,28-,29-,31-/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(c(c1)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeOlea europaea Ref.
PlantaeRosaceaeRosa spp. Ref.
PlantaeRutaceaeCitrus sinensis Ref.
PlantaeVitaceaeVitis cinerea Ref.
PlantaeVitaceaeVitis vinifera Ref.
zoom in



OrganismRosa spp.
ReferenceMikanagi,Biochem.Syst.Ecol.,28,(2000),887