CID 9929643
Hypothemycin
Structural Information
- Molecular Formula
- C19H22O8
- SMILES
- C[C@H]1C/C=C\C(=O)[C@H]([C@H](C[C@@H]2[C@H](O2)C3=C(C(=CC(=C3)OC)O)C(=O)O1)O)O
- InChI
- InChI=1S/C19H22O8/c1-9-4-3-5-12(20)17(23)14(22)8-15-18(27-15)11-6-10(25-2)7-13(21)16(11)19(24)26-9/h3,5-7,9,14-15,17-18,21-23H,4,8H2,1-2H3/b5-3-/t9-,14-,15+,17+,18+/m0/s1
- InChIKey
- SSNQAUBBJYCSMY-KNTMUCJRSA-N
- Compound name
- (2R,4R,6S,7S,9Z,12S)-6,7,16-trihydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 379.13875 | 178.6 |
[M+Na]+ | 401.12069 | 188.7 |
[M-H]- | 377.12419 | 181.9 |
[M+NH4]+ | 396.16529 | 181.8 |
[M+K]+ | 417.09463 | 188.0 |
[M+H-H2O]+ | 361.12873 | 177.2 |
[M+HCOO]- | 423.12967 | 189.4 |
[M+CH3COO]- | 437.14532 | 211.6 |
[M+Na-2H]- | 399.10614 | 180.1 |
[M]+ | 378.13092 | 182.4 |
[M]- | 378.13202 | 182.4 |