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CHEBI:211168 - Oscillatoxin E
| Formula | C28H40O6 |
| Net Charge | 0 |
| Average Mass | 472.622 |
| Monoisotopic Mass | 472.28249 |
| SMILES | COC(=O)[C@@H]1C(=O)[C@H](C)CC(C)(C)[C@]12C=C[C@H](C)[C@@H]([C@@H](C)CC[C@H](OC)c1cccc(O)c1)O2 |
| InChI | InChI=1S/C28H40O6/c1-17(11-12-22(32-6)20-9-8-10-21(29)15-20)25-18(2)13-14-28(34-25)23(26(31)33-7)24(30)19(3)16-27(28,4)5/h8-10,13-15,17-19,22-23,25,29H,11-12,16H2,1-7H3/t17-,18-,19+,22-,23-,25+,28-/m0/s1 |
| InChIKey | AEQCDICRJLJRFL-ODBFGXEDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Lyngbya (ncbitaxon:28073) | - | DOI (10.1039/c9ra00965e) | |
| Moorena producens (ncbitaxon:1155739) | - | DOI (10.1016/j.tet.2019.03.020) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Oscillatoxin E (CHEBI:211168) is a benzyl ether (CHEBI:59859) |
| IUPAC Names |
|---|
| methyl (2R,3S,6S,7S,9R)-2-[(2S,5S)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-3,9,11,11-tetramethyl-8-oxo-1-oxaspiro[5.5]undec-4-ene-7-carboxylate |
| [(2R,3R)-2-methyl-5-oxooxolan-3-yl] (2E)-2-[(2R,3R,4R,6R)-2-[(2S,5S)-5-(2-bromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-4-methoxy-3,6,8,8-tetramethyl-3,4,6,7-tetrahydro-2H-chromen-5-ylidene]acetate |