input word = C00057407

Metabolite InformationStructural formula
Name Pyranocyanin D
Formula C29H25O12+
Mw 565.13460127
CAS RN 487021-53-4
C_ID C00057407
InChIKey KXIWBEACJPYXIM-VMQCTCBBSA-O
InChICode InChI=1S/C29H24O12/c30-11-22-24(35)25(36)26(37)29(40-22)41-28-16-10-19(12-1-4-14(31)5-2-12)38-20-8-15(32)9-21(23(16)20)39-27(28)13-3-6-17(33)18(34)7-13/h1-10,22,24-26,29-30,35-37H,11H2,(H3-,31,32,33,34)/p+1/t22-,24-,25+,26-,29+/m1/s1
SMILES OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)[o+]c3cc(O)cc4c3c2C=C(c2ccc(O)cc2)O4)[C@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGrossulariaceaeRibes nigrum Ref.
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OrganismRibes nigrum
ReferenceFulcrand, H. et al., JCS Perkin 1, 1996, 735-739 (Pyranocyanin D, Malvidin 3-glucoside-4-vinylphenol, Malvidin coumaroylglucoside)