input word = C00006739

Metabolite InformationStructural formula
Name Malvidin 3-gentiobiside
Formula C29H35O17
Mw 655.1874247
CAS RN
C_ID C00006739 ,
InChIKey MOXAYEOWSOYLFR-DZFYSOBPNA-O
InChICode InChI=1S/C29H34O17/c1-40-15-3-10(4-16(41-2)20(15)33)27-17(7-12-13(32)5-11(31)6-14(12)43-27)44-29-26(39)24(37)22(35)19(46-29)9-42-28-25(38)23(36)21(34)18(8-30)45-28/h3-7,18-19,21-26,28-30,34-39H,8-9H2,1-2H3,(H2-,31,32,33)/p+1/t18-,19-,21+,22+,23-,24+,25+,26-,28+,29+/m0/s1
SMILES O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)C[C@@H]1O[C@@H](Oc2cc3c(cc(cc3[o+]c2c2cc(c(c(c2)OC)O)OC)O)O)[C@H]([C@@H]([C@@H]1O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePrimulaceaePrimula spp. Ref.
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