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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	303.086316	162.8
[M+Na]+	325.068258	173.1
[M-H]-	301.071764	167.6
[M+NH4]+	320.112863	180.6
[M+K]+	341.042198	171.3
[M+H-H2O]+	285.076300	157.8
[M+HCOO]-	347.077241	176.8
[M+CH3COO]-	361.092891	174.8
[M+Na-2H]-	323.053706	170.3
[M]+	302.07849142	166.6
[M]-	302.07958858	166.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.