CID 22524218

2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-4-oxo-4h-chromen-3-yl 6-deoxy-beta-d-gulopyranoside

Structural Information

Molecular Formula
C23H24O12
SMILES
C[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=C(C(=C3C2=O)O)OC)OC)C4=CC(=C(C=C4)O)O)O)O)O
InChI
InChI=1S/C23H24O12/c1-8-15(26)18(29)19(30)23(33-8)35-22-17(28)14-12(7-13(31-2)21(32-3)16(14)27)34-20(22)9-4-5-10(24)11(25)6-9/h4-8,15,18-19,23-27,29-30H,1-3H3/t8-,15+,18-,19-,23+/m1/s1
InChIKey
NVZCGVLCUJLTSA-CTQDKRGWSA-N
Compound name
2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-3-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

492.12677 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.13405 213.9
[M+Na]+ 515.11599 225.7
[M+NH4]+ 510.16059 215.5
[M+K]+ 531.08993 224.6
[M-H]- 491.11949 217.6
[M+Na-2H]- 513.10144 213.2
[M]+ 492.12622 216.2
[M]- 492.12732 216.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.