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CHEBI:211220 - Pyrrospirone B
| Formula | C31H39NO5 |
| Net Charge | 0 |
| Average Mass | 505.655 |
| Monoisotopic Mass | 505.28282 |
| SMILES | CC1=C[C@H]2[C@@H]3C(=O)[C@]4(C[C@@H]2O)C[C@](O)(Cc2ccc(cc2)O[C@H]2[C@H]3[C@@H]1[C@]1(C)C[C@H](C)C[C@H](C)[C@@H]21)NC4=O |
| InChI | InChI=1S/C31H39NO5/c1-15-9-16(2)25-26-23-22-20(10-17(3)24(23)29(25,4)11-15)21(33)13-30(27(22)34)14-31(36,32-28(30)35)12-18-5-7-19(37-26)8-6-18/h5-8,10,15-16,20-26,33,36H,9,11-14H2,1-4H3,(H,32,35)/t15-,16+,20-,21+,22+,23-,24-,25+,26+,29+,30+,31-/m1/s1 |
| InChIKey | HECJLRHOFZNKOS-ZAYAPDTBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Neonectria candida (ncbitaxon:1634535) | - | PubMed (18952424) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Pyrrospirone B (CHEBI:211220) is a prostanoid (CHEBI:26347) |
| IUPAC Name |
|---|
| (1S,3S,4S,7S,8S,10R,12S,13R,14S,21R,25S,26S)-3,21-dihydroxy-6,8,10,12-tetramethyl-15-oxa-22-azaheptacyclo[12.9.3.216,19.11,21.04,25.07,26.08,13]nonacosa-5,16,18,28-tetraene-23,24-dione |
| Manual Xrefs | Databases |
|---|---|
| 24711778 | ChemSpider |