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CHEBI:226431 - Bipolarolide B
| Formula | C25H36O4 |
| Net Charge | 0 |
| Average Mass | 400.559 |
| Monoisotopic Mass | 400.26136 |
| SMILES | CC(=CCC[C@H](C)C1=C[C@@H]2O[C@]3(C)C[C@@]4(O)[C@@H]5C(CO)=CC[C@]14[C@@]2(C)C[C@@H]53)CO |
| InChI | InChI=1S/C25H36O4/c1-15(12-26)6-5-7-16(2)18-10-20-22(3)11-19-21-17(13-27)8-9-24(18,22)25(21,28)14-23(19,4)29-20/h6,8,10,16,19-21,26-28H,5,7,9,11-14H2,1-4H3/t16-,19-,20-,21+,22-,23+,24+,25+/m0/s1 |
| InChIKey | LHLGFPJZAWXXIN-RGKUMLFLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Bipolaris (ncbitaxon:33194) | - | PubMed (31254370) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Bipolarolide B (CHEBI:226431) is a sesquiterpenoid (CHEBI:26658) |
| IUPAC Name |
|---|
| (1R,3R,4S,8R,11S,12R,14S)-5-(hydroxymethyl)-9-[(2S)-7-hydroxy-6-methylhept-5-en-2-yl]-1,12-dimethyl-15-oxapentacyclo[9.3.1.03,8.04,14.08,12]pentadeca-5,9-dien-3-ol |