input word = C00006816

Metabolite InformationStructural formula
Name Cyanidin 3,5-di-(6-acetylglucoside)
Formula C31H35O18
Mw 695.18233932
CAS RN 161992-98-9
C_ID C00006816 ,
InChIKey ZAYZHLHYKPKZGL-ULTVRBGTNA-O
InChICode InChI=1S/C31H34O18/c1-11(32)43-9-21-23(37)25(39)27(41)30(48-21)46-19-7-14(34)6-18-15(19)8-20(29(45-18)13-3-4-16(35)17(36)5-13)47-31-28(42)26(40)24(38)22(49-31)10-44-12(2)33/h3-8,21-28,30-31,37-42H,9-10H2,1-2H3,(H2-,34,35,36)/p+1/t21-,22-,23-,24-,25+,26-,27+,28-,30-,31-/m1/s1
SMILES CC(=O)OCC1O[C@@H](Oc2cc3c(O[C@@H]4OC(COC(C)=O)[C@@H](O)[C@H](O)C4O)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
PlantaeVerbenaceaeVerbena x hybrida Ref.
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