input word = C00006882

Metabolite InformationStructural formula
Name Delphinidin 3,5-di(6-acetylglucoside)
Formula C31H35O19
Mw 711.17725394
CAS RN 133179-75-6
C_ID C00006882 ,
InChIKey KCSOXZNFQZDAHM-JFNARRCFNA-O
InChICode InChI=1S/C31H34O19/c1-10(32)44-8-20-23(38)25(40)27(42)30(49-20)47-18-6-13(34)5-17-14(18)7-19(29(46-17)12-3-15(35)22(37)16(36)4-12)48-31-28(43)26(41)24(39)21(50-31)9-45-11(2)33/h3-7,20-21,23-28,30-31,38-43H,8-9H2,1-2H3,(H3-,34,35,36,37)/p+1/t20-,21-,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-c2cc(O)c(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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