CID 54264794
4-biphenylyl glucuronide
Structural Information
- Molecular Formula
- C18H18O7
- SMILES
- C1=CC=C(C=C1)C2=CC=C(C=C2)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
- InChI
- InChI=1S/C18H18O7/c19-13-14(20)16(17(22)23)25-18(15(13)21)24-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13-16,18-21H,(H,22,23)/t13-,14-,15+,16-,18?/m0/s1
- InChIKey
- RFZQPUBFBMWPMZ-PDHYLSHYSA-N
- Compound name
- (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(4-phenylphenoxy)oxane-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 347.11254 | 177.1 |
[M+Na]+ | 369.09448 | 182.1 |
[M-H]- | 345.09798 | 182.4 |
[M+NH4]+ | 364.13908 | 185.7 |
[M+K]+ | 385.06842 | 180.0 |
[M+H-H2O]+ | 329.10252 | 168.8 |
[M+HCOO]- | 391.10346 | 190.6 |
[M+CH3COO]- | 405.11911 | 203.8 |
[M+Na-2H]- | 367.07993 | 177.3 |
[M]+ | 346.10471 | 174.9 |
[M]- | 346.10581 | 174.9 |
Literature stripe
Patent stripe
No patent data available for this compound.