input word = C00006895

Metabolite InformationStructural formula
Name Petunidin 3-(6''-malonylglucoside)
Formula C25H25O15
Mw 565.11934513
CAS RN 122856-10-4
C_ID C00006895 ,
InChIKey IAXXCVQRJLGMLV-PWCYCAIDNA-O
InChICode InChI=1S/C25H24O15/c1-36-15-3-9(2-13(28)20(15)32)24-16(6-11-12(27)4-10(26)5-14(11)38-24)39-25-23(35)22(34)21(33)17(40-25)8-37-19(31)7-18(29)30/h2-6,17,21-23,25,33-35H,7-8H2,1H3,(H4-,26,27,28,29,30,32)/p+1/t17-,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)c1cc(c(c(c1)OC)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeHibiscus syriacus Ref.
PlantaePassifloraceaePassiflora suberosa Ref.
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OrganismPassiflora suberosa
ReferenceKidoy,J.Food Compost.Anal.,10,(1997),49