CID 102438666

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

Structural Information

Molecular Formula
C23H24O12
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)OC)O)OC)O)O)O
InChI
InChI=1S/C23H24O12/c1-8-16(26)19(29)20(30)23(33-8)35-22-18(28)15-11(25)6-10(24)7-12(15)34-21(22)9-4-13(31-2)17(27)14(5-9)32-3/h4-8,16,19-20,23-27,29-30H,1-3H3/t8-,16-,19+,20+,23-/m0/s1
InChIKey
MYIRTOOWWKKWIT-RJLOCQCWSA-N
Compound name
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-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

492.12677 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.13405 213.2
[M+Na]+ 515.11599 220.3
[M-H]- 491.11949 219.0
[M+NH4]+ 510.16059 214.9
[M+K]+ 531.08993 222.1
[M+H-H2O]+ 475.12403 203.2
[M+HCOO]- 537.12497 221.3
[M+CH3COO]- 551.14062 236.7
[M+Na-2H]- 513.10144 211.1
[M]+ 492.12622 219.5
[M]- 492.12732 219.5
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.