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 214.6
[M+Na]+ 543.11092 222.1
[M+NH4]+ 538.15552 214.6
[M+K]+ 559.08486 223.1
[M-H]- 519.11442 216.1
[M+Na-2H]- 541.09637 211.9
[M]+ 520.12115 215.3
[M]- 520.12225 215.3
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.