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CHEBI:198033 - Hirsutellone B
| Formula | C28H33NO4 |
| Net Charge | 0 |
| Average Mass | 447.575 |
| Monoisotopic Mass | 447.24096 |
| SMILES | C=C[C@H]1C=C[C@H]2[C@@H]3C[C@H](C)CC[C@H]3[C@@H]3Oc4ccc(cc4)C[C@@]4(O)C[C@H](C(=O)N4)C(=O)[C@@H]1[C@H]23 |
| InChI | InChI=1S/C28H33NO4/c1-3-17-7-11-19-21-12-15(2)4-10-20(21)26-24(19)23(17)25(30)22-14-28(32,29-27(22)31)13-16-5-8-18(33-26)9-6-16/h3,5-9,11,15,17,19-24,26,32H,1,4,10,12-14H2,2H3,(H,29,31)/t15-,17+,19+,20-,21+,22+,23+,24+,26+,28-/m1/s1 |
| InChIKey | VGNDUPFGVMMKPS-KOSFCWFBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Hirsutella (ncbitaxon:42367) | - | DOI (10.1016/j.tet.2005.03.099) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Hirsutellone B (CHEBI:198033) is a prostanoid (CHEBI:26347) |
| IUPAC Name |
|---|
| (3S,4R,7R,9S,10S,13S,14S,16S,19S,27S)-13-ethenyl-19-hydroxy-7-methyl-2-oxa-18-azahexacyclo[19.2.2.13,10.116,19.04,9.014,27]heptacosa-1(24),11,21(25),22-tetraene-15,17-dione |
| Manual Xrefs | Databases |
|---|---|
| 9844252 | ChemSpider |