input word = C00006860

Metabolite InformationStructural formula
Name Peonidin 3-(6''-malonylglucoside)
Formula C25H25O14
Mw 549.12443051
CAS RN 122856-11-5
C_ID C00006860 ,
InChIKey CKJPGRXYFVEMFF-GHQQAVPNNA-O
InChICode InChI=1S/C25H24O14/c1-35-16-4-10(2-3-13(16)27)24-17(7-12-14(28)5-11(26)6-15(12)37-24)38-25-23(34)22(33)21(32)18(39-25)9-36-20(31)8-19(29)30/h2-7,18,21-23,25,32-34H,8-9H2,1H3,(H3-,26,27,28,29,30)/p+1/t18-,21+,22+,23-,25-/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)CC(=O)O)O)O)O)c1ccc(c(c1)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium cepa Ref.
PlantaeMalvaceaeHibiscus syriacus Ref.
PlantaePoaceaeAlopecurus spp. Ref.
PlantaePoaceaeAnthoxanthum spp. Ref.
PlantaePoaceaeAvenula spp. Ref.
PlantaePoaceaeBothriochloa spp. Ref.
PlantaePoaceaeDactylis spp. Ref.
PlantaePoaceaeDeschampsia spp. Ref.
PlantaePoaceaeElymus spp. Ref.
PlantaePoaceaeFestuca spp. Ref.
PlantaePoaceaeHordeum spp. Ref.
PlantaePoaceaeMiscanthus spp. Ref.
PlantaePoaceaeMolinia spp. Ref.
PlantaePoaceaeOryza spp. Ref.
PlantaePoaceaePhalaris spp. Ref.
PlantaePoaceaePhleum spp. Ref.
PlantaePoaceaePoa spp. Ref.
PlantaePoaceaeSinarundinaria spp. Ref.
PlantaeRutaceaeCitrus sinensis Ref.
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