input word = C00006795

Metabolite InformationStructural formula
Name Cyanidin 3-(3''-malonylglucoside)
Formula C24H23O14
Mw 535.10878045
CAS RN 180129-51-5
C_ID C00006795 ,
InChIKey AWPCCUSBXWEBBS-HDMGYQMQNA-O
InChICode InChI=1S/C24H22O14/c25-8-17-20(33)23(38-19(32)7-18(30)31)21(34)24(37-17)36-16-6-11-13(28)4-10(26)5-15(11)35-22(16)9-1-2-12(27)14(29)3-9/h1-6,17,20-21,23-25,33-34H,7-8H2,(H4-,26,27,28,29,30,31)/p+1/t17-,20+,21+,23-,24+/m0/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)OC(=O)CC(=O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium sativum Ref.
PlantaeAlliaceaeAllium victorialis Ref.
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