CID 91820058

1alpha-hydroxymedicarpin

Structural Information

Molecular Formula
C16H14O5
SMILES
COC1=CC2=C(C=C1)[C@@H]3COC4=CC(=O)C=CC4([C@@H]3O2)O
InChI
InChI=1S/C16H14O5/c1-19-10-2-3-11-12-8-20-14-6-9(17)4-5-16(14,18)15(12)21-13(11)7-10/h2-7,12,15,18H,8H2,1H3/t12-,15+,16?/m0/s1
InChIKey
ADSQTWKKQGAOFT-PNMZXMJCSA-N
Compound name
(6aR,11aR)-11b-hydroxy-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

286.08414 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09142 161.3
[M+Na]+ 309.07336 174.5
[M+NH4]+ 304.11796 171.6
[M+K]+ 325.04730 168.6
[M-H]- 285.07686 166.2
[M+Na-2H]- 307.05881 164.6
[M]+ 286.08359 164.8
[M]- 286.08469 164.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.