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CHEBI:215461 - Botryosphaerin B
| Formula | C16H22O5 |
| Net Charge | 0 |
| Average Mass | 294.347 |
| Monoisotopic Mass | 294.14672 |
| SMILES | C[C@]12CCC[C@](C)(C(=O)O)[C@@H]1C=C[C@]1(CO)OC(=O)C[C@H]21 |
| InChI | InChI=1S/C16H22O5/c1-14-5-3-6-15(2,13(19)20)10(14)4-7-16(9-17)11(14)8-12(18)21-16/h4,7,10-11,17H,3,5-6,8-9H2,1-2H3,(H,19,20)/t10-,11-,14+,15+,16-/m1/s1 |
| InChIKey | OLPZVAKACBWEBK-AKUOKLNBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Botryosphaeria (ncbitaxon:45132) | |||
| - | DOI (10.1002/hlca.200800424) | ||
| - | PubMed (26156623) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Botryosphaerin B (CHEBI:215461) is a naphthofuran (CHEBI:39270) |
| IUPAC Names |
|---|
| (3aS,5aR,6S,9aS,9bR)-3a-(hydroxymethyl)-6,9a-dimethyl-2-oxo-1,5a,7,8,9,9b-hexahydrobenzo[e][1]benzouran-6-carboxylic acid |
| methyl (2S,4E)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-propan-2-yl-1,3-dioxolane-2-carboxylate |