CID 157010106

9,10,11-trihydroxyumbelliprenin

Structural Information

Molecular Formula
C24H32O6
SMILES
C/C(=C\COC1=CC2=C(C=C1)C=CC(=O)O2)/CC/C=C(/C)\CC(C(C(C)(C)O)O)O
InChI
InChI=1S/C24H32O6/c1-16(6-5-7-17(2)14-20(25)23(27)24(3,4)28)12-13-29-19-10-8-18-9-11-22(26)30-21(18)15-19/h7-12,15,20,23,25,27-28H,5-6,13-14H2,1-4H3/b16-12+,17-7-
InChIKey
PWGFIVDGCMQGCD-CCMQFXHASA-N
Compound name
7-[(2E,6Z)-9,10,11-trihydroxy-3,7,11-trimethyldodeca-2,6-dienoxy]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.21988 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.227156 202.6
[M+Na]+ 439.209098 205.0
[M-H]- 415.212604 202.3
[M+NH4]+ 434.253703 210.2
[M+K]+ 455.183038 202.3
[M+H-H2O]+ 399.217140 195.6
[M+HCOO]- 461.218081 212.6
[M+CH3COO]- 475.233731 222.0
[M+Na-2H]- 437.194546 200.9
[M]+ 416.21933142 205.8
[M]- 416.22042858 205.8
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.