CID 44259605
Rhamnetin 3,3'-disulfate
Structural Information
- Molecular Formula
- C16H12O13S2
- SMILES
- COC1=CC(=C2C(=C1)OC(=C(C2=O)OS(=O)(=O)O)C3=CC(=C(C=C3)O)OS(=O)(=O)O)O
- InChI
- InChI=1S/C16H12O13S2/c1-26-8-5-10(18)13-12(6-8)27-15(16(14(13)19)29-31(23,24)25)7-2-3-9(17)11(4-7)28-30(20,21)22/h2-6,17-18H,1H3,(H,20,21,22)(H,23,24,25)
- InChIKey
- JEBHZRIZTUAWRU-UHFFFAOYSA-N
- Compound name
- [2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxo-3-sulfooxychromen-2-yl)phenyl] hydrogen sulfate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 476.97920 | 193.9 |
[M+Na]+ | 498.96114 | 200.8 |
[M-H]- | 474.96464 | 196.9 |
[M+NH4]+ | 494.00574 | 198.1 |
[M+K]+ | 514.93508 | 200.0 |
[M+H-H2O]+ | 458.96918 | 186.6 |
[M+HCOO]- | 520.97012 | 199.8 |
[M+CH3COO]- | 534.98577 | 222.2 |
[M+Na-2H]- | 496.94659 | 202.1 |
[M]+ | 475.97137 | 204.9 |
[M]- | 475.97247 | 204.9 |
Literature stripe
Patent stripe
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