CID 466314

6-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

Structural Information

Molecular Formula
C30H22O10
SMILES
C1C(OC2=C(C1=O)C(=C(C(=C2)O)C3=C4C(=C(C=C3O)O)C(=O)CC(O4)C5=CC=C(C=C5)O)O)C6=CC=C(C=C6)O
InChI
InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)22-11-20(36)26-24(39-22)12-21(37)27(29(26)38)28-18(34)9-17(33)25-19(35)10-23(40-30(25)28)14-3-7-16(32)8-4-14/h1-9,12,22-23,31-34,37-38H,10-11H2
InChIKey
YBDIZQWDBBOOFB-UHFFFAOYSA-N
Compound name
6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

45
Patents

542.1213 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.12858 229.4
[M+Na]+ 565.11052 235.4
[M-H]- 541.11402 238.3
[M+NH4]+ 560.15512 228.8
[M+K]+ 581.08446 234.5
[M+H-H2O]+ 525.11856 217.3
[M+HCOO]- 587.11950 234.0
[M+CH3COO]- 601.13515 234.2
[M+Na-2H]- 563.09597 227.2
[M]+ 542.12075 229.0
[M]- 542.12185 229.0
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.