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.
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