CID 44257488

6a,7-dihydroxymedicarpin

Structural Information

Molecular Formula
C16H14O6
SMILES
COC1=CC(=C2C(=C1)OC3C2(COC4=C3C=CC(=C4)O)O)O
InChI
InChI=1S/C16H14O6/c1-20-9-5-11(18)14-13(6-9)22-15-10-3-2-8(17)4-12(10)21-7-16(14,15)19/h2-6,15,17-19H,7H2,1H3
InChIKey
ABLLSLSHQGLOPV-UHFFFAOYSA-N
Compound name
9-methoxy-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,7-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.07904 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08632 162.8
[M+Na]+ 325.06826 173.1
[M-H]- 301.07176 167.6
[M+NH4]+ 320.11286 180.6
[M+K]+ 341.04220 171.3
[M+H-H2O]+ 285.07630 157.8
[M+HCOO]- 347.07724 176.8
[M+CH3COO]- 361.09289 174.8
[M+Na-2H]- 323.05371 170.3
[M]+ 302.07849 166.6
[M]- 302.07959 166.6
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.