Malvidin-3,5-diglucoside
Molecular Formula:
C29H35O17+
InChI: InChI=1/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/fC29H35O17/h32-33H/q+1
InChIKey: InChIKey=CILLXFBAACIQNS-JZHUJWJADB
SMILES: COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O
Names:
Malvidin-3,5-diglucoside
(2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Registries:
PubChem CID 441765
PubChem ID 10486434
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