CID 22482502

Hydroxymedioresinol

Structural Information

Molecular Formula
C15H18O8
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)C(=O)C(C(C(CO)O)O)O)O
InChI
InChI=1S/C15H18O8/c1-23-12-6-8(2-4-9(12)17)3-5-10(18)13(20)15(22)14(21)11(19)7-16/h2-6,11,14-17,19,21-22H,7H2,1H3/b5-3+
InChIKey
IEPQZIWEKIJAOM-HWKANZROSA-N
Compound name
(E)-5,6,7,8-tetrahydroxy-1-(4-hydroxy-3-methoxyphenyl)oct-1-ene-3,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.10016 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.10744 171.2
[M+Na]+ 349.08938 174.3
[M-H]- 325.09288 167.5
[M+NH4]+ 344.13398 180.9
[M+K]+ 365.06332 172.8
[M+H-H2O]+ 309.09742 165.0
[M+HCOO]- 371.09836 183.3
[M+CH3COO]- 385.11401 198.9
[M+Na-2H]- 347.07483 166.7
[M]+ 326.09961 170.9
[M]- 326.10071 170.9
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.