CID 86573931

8-[5-(5,7-dihydroxychroman-2-yl)-2-hydroxy-phenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

Structural Information

Molecular Formula
C30H22O9
SMILES
C1CC2=C(C=C(C=C2OC1C3=CC(=C(C=C3)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O)O)O
InChI
InChI=1S/C30H22O9/c31-16-4-1-14(2-5-16)26-13-24(37)29-23(36)12-22(35)28(30(29)39-26)19-9-15(3-7-20(19)33)25-8-6-18-21(34)10-17(32)11-27(18)38-25/h1-5,7,9-13,25,31-36H,6,8H2
InChIKey
XMLZQEFOMJAIGI-UHFFFAOYSA-N
Compound name
8-[5-(5,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

526.1264 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.13368 226.6
[M+Na]+ 549.11562 233.9
[M-H]- 525.11912 236.0
[M+NH4]+ 544.16022 226.9
[M+K]+ 565.08956 232.1
[M+H-H2O]+ 509.12366 214.4
[M+HCOO]- 571.12460 233.9
[M+CH3COO]- 585.14025 232.3
[M+Na-2H]- 547.10107 226.4
[M]+ 526.12585 227.6
[M]- 526.12695 227.6
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.