input word = C00006801

Metabolite InformationStructural formula
Name Cyanidin 3-(6''-caffeylglucoside)
Formula C30H27O14
Mw 611.14008057
CAS RN 28983-74-6
C_ID C00006801 ,
InChIKey RTVUMLBJQCCROY-LHXYVNGMNA-O
InChICode InChI=1S/C30H26O14/c31-15-9-19(34)16-11-23(29(42-22(16)10-15)14-3-5-18(33)21(36)8-14)43-30-28(40)27(39)26(38)24(44-30)12-41-25(37)6-2-13-1-4-17(32)20(35)7-13/h1-11,24,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p+1/t24-,26+,27+,28-,30+/m0/s1
SMILES O=C(/C=C/c1ccc(O)c(O)c1)OCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeSilene dioica Ref.
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OrganismSilene dioica
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Kamsteeg,Z.Naturforsch.,C.,33,(1978),475