CID 101929802

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

Structural Information

Molecular Formula
C24H26O13
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)OC)O)O)O
InChI
InChI=1S/C24H26O13/c1-8-15(27)18(30)19(31)24(35-8)37-23-17(29)14-10(25)7-11(26)21(34-4)22(14)36-20(23)9-5-12(32-2)16(28)13(6-9)33-3/h5-8,15,18-19,24-28,30-31H,1-4H3/t8-,15-,18+,19+,24-/m0/s1
InChIKey
BMVUUIRNCIIOAO-SSZMAEPFSA-N
Compound name
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-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

522.1373 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.14458 219.9
[M+Na]+ 545.12652 226.7
[M-H]- 521.13002 225.8
[M+NH4]+ 540.17112 220.4
[M+K]+ 561.10046 229.8
[M+H-H2O]+ 505.13456 209.5
[M+HCOO]- 567.13550 227.6
[M+CH3COO]- 581.15115 243.8
[M+Na-2H]- 543.11197 217.1
[M]+ 522.13675 228.4
[M]- 522.13785 228.4
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.