CID 101929801

2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-8-methoxy-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one

Structural Information

Molecular Formula
C23H24O13
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3OC)O)O)C4=CC(=C(C(=C4)OC)O)O)O)O)O
InChI
InChI=1S/C23H24O13/c1-7-14(27)17(30)18(31)23(34-7)36-22-16(29)13-9(24)6-11(26)20(33-3)21(13)35-19(22)8-4-10(25)15(28)12(5-8)32-2/h4-7,14,17-18,23-28,30-31H,1-3H3/t7-,14-,17+,18+,23-/m0/s1
InChIKey
SLKYVXNLSZNUTP-YAHRKBNESA-N
Compound name
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-8-methoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.1217 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.12898 216.4
[M+Na]+ 531.11092 223.3
[M-H]- 507.11442 221.3
[M+NH4]+ 526.15552 216.8
[M+K]+ 547.08486 225.8
[M+H-H2O]+ 491.11896 206.4
[M+HCOO]- 553.11990 223.0
[M+CH3COO]- 567.13555 239.7
[M+Na-2H]- 529.09637 241.5
[M]+ 508.12115 223.0
[M]- 508.12225 223.0
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.