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
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 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.