CID 155903276

Chebi:169950

Structural Information

Molecular Formula
C24H24O13
SMILES
C1[C@H](OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)CC(=O)O)O)O)O)C4=CC=C(C=C4)O
InChI
InChI=1S/C24H24O13/c25-11-3-1-10(2-4-11)15-7-14(27)20-13(26)5-12(6-16(20)36-15)35-24-23(33)22(32)21(31)17(37-24)9-34-19(30)8-18(28)29/h1-6,15,17,21-26,31-33H,7-9H2,(H,28,29)/t15-,17+,21+,22-,23+,24+/m0/s1
InChIKey
AFZVEROKPWBXGE-ORBVZETASA-N
Compound name
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.1217 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.12898 213.1
[M+Na]+ 543.11092 215.1
[M-H]- 519.11442 216.8
[M+NH4]+ 538.15552 212.2
[M+K]+ 559.08486 217.7
[M+H-H2O]+ 503.11896 203.5
[M+HCOO]- 565.11990 217.0
[M+CH3COO]- 579.13555 239.1
[M+Na-2H]- 541.09637 209.8
[M]+ 520.12115 214.7
[M]- 520.12225 214.7
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.