CID 14849116

Schembl29929170

Structural Information

Molecular Formula
C25H22O10
SMILES
COC1=C(C=CC(=C1)C2C(C3=C(C=CC(=C3O2)O)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O
InChI
InChI=1S/C25H22O10/c1-33-17-6-10(2-4-14(17)28)23-13(9-26)19-12(3-5-15(29)25(19)35-23)24-22(32)21(31)20-16(30)7-11(27)8-18(20)34-24/h2-8,13,22-24,26-30,32H,9H2,1H3
InChIKey
QYCJAWYDGRZSTO-UHFFFAOYSA-N
Compound name
3,5,7-trihydroxy-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-4-yl]-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

482.1213 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.12858 210.7
[M+Na]+ 505.11052 217.9
[M-H]- 481.11402 217.5
[M+NH4]+ 500.15512 215.5
[M+K]+ 521.08446 216.9
[M+H-H2O]+ 465.11856 203.2
[M+HCOO]- 527.11950 218.4
[M+CH3COO]- 541.13515 233.3
[M+Na-2H]- 503.09597 208.5
[M]+ 482.12075 214.2
[M]- 482.12185 214.2
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.