CID 78178402

5-hydroxy-2-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzo[g]chromen-4-one

Structural Information

Molecular Formula
C20H20O9
SMILES
CC1=CC(=O)C2=C(O1)C=C3C=CC=C(C3=C2O)OC4C(C(C(C(O4)CO)O)O)O
InChI
InChI=1S/C20H20O9/c1-8-5-10(22)15-12(27-8)6-9-3-2-4-11(14(9)17(15)24)28-20-19(26)18(25)16(23)13(7-21)29-20/h2-6,13,16,18-21,23-26H,7H2,1H3
InChIKey
SBVZTBIAKFTNIJ-UHFFFAOYSA-N
Compound name
5-hydroxy-2-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzo[g]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

404.11072 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.11800 191.0
[M+Na]+ 427.09994 199.9
[M-H]- 403.10344 195.7
[M+NH4]+ 422.14454 198.2
[M+K]+ 443.07388 199.0
[M+H-H2O]+ 387.10798 182.6
[M+HCOO]- 449.10892 201.4
[M+CH3COO]- 463.12457 218.3
[M+Na-2H]- 425.08539 193.7
[M]+ 404.11017 195.3
[M]- 404.11127 195.3
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.