CID 90658829

Cyanidin 3-o-(6""-o-malyl-beta-d-glucoside)

Structural Information

Molecular Formula
C25H24O15
SMILES
C1=CC(=C(C=C1C2=C(C=C3C(=CC(=O)C=C3O2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C[C@H](C(=O)O)O)O)O)O)O)O
InChI
InChI=1S/C25H24O15/c26-10-4-13(28)11-6-17(23(38-16(11)5-10)9-1-2-12(27)14(29)3-9)39-25-22(34)21(33)20(32)18(40-25)8-37-19(31)7-15(30)24(35)36/h1-6,15,18,20-22,25,27-30,32-34H,7-8H2,(H,35,36)/t15-,18-,20-,21+,22-,25-/m1/s1
InChIKey
ZNUFRBGUKJIPMX-FOQZLENISA-N
Compound name
(2R)-4-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-hydroxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

564.1115 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.11878 224.8
[M+Na]+ 587.10072 226.8
[M+NH4]+ 582.14532 225.8
[M+K]+ 603.07466 230.3
[M-H]- 563.10422 219.4
[M+Na-2H]- 585.08617 244.5
[M]+ 564.11095 223.7
[M]- 564.11205 223.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.