input word = C00006796

Metabolite InformationStructural formula
Name Cyanidin 3-(6''-malonylglucoside)
Cyanidin-3-O-(6-O-malonyl-beta-D-glucopyranoside)
Formula C24H23O14
Mw 535.10878045
CAS RN 94977-38-5
C_ID C00006796 ,
InChIKey ROQLTZUOXIQBDO-AOJYJDMDNA-O
InChICode InChI=1S/C24H22O14/c25-10-4-13(27)11-6-16(23(36-15(11)5-10)9-1-2-12(26)14(28)3-9)37-24-22(34)21(33)20(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,20-22,24,32-34H,7-8H2,(H4-,25,26,27,28,29,30)/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(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium cepa Ref.
PlantaeAlliaceaeAllium sativum Ref.
PlantaeAlliaceaeAllium schoenoprasum Ref.
PlantaeAlliaceaeAllium victorialis Ref.
PlantaeAlstroemeriaceaeAlstroemeria spp. Ref.
PlantaeAsteraceaeBellis perennis Ref.
PlantaeAsteraceaeCentaurea cyanus Ref.
PlantaeAsteraceaeChrysanthemum x morifolium Ref.
PlantaeAsteraceaeCichorium intybus Ref.
PlantaeAsteraceaeLactuca sativa Ref.
PlantaeCalochortaceaeTricyrtis formosana Ref.
PlantaeCaryophyllaceaeDianthus caryophyllus Ref.
PlantaeCaryophyllaceaeDianthus deltoides Ref.
PlantaeFabaceaeLupinus spp. Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
PlantaeMalvaceaeHibiscus syriacus Ref.
PlantaeOrchidaceaeDracula chimaera Ref.
PlantaePassifloraceaePassiflora edulis Ref.
PlantaePassifloraceaePassiflora suberosa 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 arundinacea Ref.
PlantaePoaceaePhalaris spp. Ref.
PlantaePoaceaePhleum spp. Ref.
PlantaePoaceaePhragmites australis Ref.
PlantaePoaceaePoa spp. Ref.
PlantaePoaceaeSinarundinaria spp. Ref.
PlantaePoaceaeZea mays Ref.
PlantaeRutaceaeCitrus sinensis Ref.
PlantaeVerbenaceaeVerbena x hybrida Ref.
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OrganismAllium sativum
ReferenceFossen,Food Chem.,58,(1997),215