input word = C00006755

Metabolite InformationStructural formula
Name Pelargonidin 3-(6''-malonylglucoside)
Formula C24H23O13
Mw 519.11386582
CAS RN 165070-68-8
C_ID C00006755 ,
InChIKey XLZUBCUKXQFBKB-AOJYJDMDNA-O
InChICode InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)23-16(7-13-14(27)5-12(26)6-15(13)35-23)36-24-22(33)21(32)20(31)17(37-24)9-34-19(30)8-18(28)29/h1-7,17,20-22,24,31-33H,8-9H2,(H3-,25,26,27,28,29)/p+1/t17-,20-,21-,22-,24-/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(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSenecio cruentus Ref.
PlantaeCaryophyllaceaeDianthus caryophyllus Ref.
PlantaeFabaceaeLupinus spp. Ref.
PlantaeMalvaceaeHibiscus syriacus Ref.
PlantaePassifloraceaePassiflora suberosa Ref.
PlantaeRosaceaeFragaria x ananassa Ref.
PlantaeVerbenaceaeVerbena x hybrida Ref.
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OrganismPassiflora suberosa
ReferenceKidoy,J.Food Compost.Anal.,10,(1997),49