CID 162978691

2-(3,4-dihydroxyphenyl)-5-hydroxy-7,8-dimethoxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Structural Information

Molecular Formula
C23H24O13
SMILES
COC1=C2C(=C(C(=C1OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)C(=O)C=C(O2)C4=CC(=C(C=C4)O)O
InChI
InChI=1S/C23H24O13/c1-32-21-19-14(11(27)6-12(34-19)8-3-4-9(25)10(26)5-8)16(29)20(22(21)33-2)36-23-18(31)17(30)15(28)13(7-24)35-23/h3-6,13,15,17-18,23-26,28-31H,7H2,1-2H3/t13-,15-,17+,18-,23+/m1/s1
InChIKey
CMAOKQCSJMLZPF-FTVHLUNLSA-N
Compound name
2-(3,4-dihydroxyphenyl)-5-hydroxy-7,8-dimethoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.1217 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.12898 215.1
[M+Na]+ 531.11092 221.2
[M-H]- 507.11442 219.6
[M+NH4]+ 526.15552 215.3
[M+K]+ 547.08486 223.5
[M+H-H2O]+ 491.11896 205.0
[M+HCOO]- 553.11990 221.8
[M+CH3COO]- 567.13555 238.0
[M+Na-2H]- 529.09637 213.1
[M]+ 508.12115 221.3
[M]- 508.12225 221.3
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.