input word = C00051451

Metabolite InformationStructural formula
Name Malvidin-3,5-diglucoside
Malvidin-3,5-O-diglucoside
Formula C29H35O17
Mw 655.1874247
CAS RN 47863-30-9
C_ID C00051451
InChIKey CILLXFBAACIQNS-CCTIJZQHNA-O
InChICode InChI=1S/C29H34O17/c1-40-15-3-10(4-16(41-2)20(15)33)27-17(44-29-26(39)24(37)22(35)19(9-31)46-29)7-12-13(42-27)5-11(32)6-14(12)43-28-25(38)23(36)21(34)18(8-30)45-28/h3-7,18-19,21-26,28-31,34-39H,8-9H2,1-2H3,(H-,32,33)/p+1/t18-,19-,21-,22-,23+,24+,25-,26-,28-,29-/m1/s1
SMILES COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeMangifera indica Ref.
PlantaeEricaceaeRhododendron simsii Ref.
PlantaeLythraceaeLythrum salicaria Ref.
PlantaeMalvaceaeMalva sylvestris Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
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OrganismMangifera indica
Referencehttps://doi.org/10.1007/s12010-017-2529-x