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CHEBI:212843 - Hydroxyl-ilicicolin H
| Formula | C27H31NO5 |
| Net Charge | 0 |
| Average Mass | 449.547 |
| Monoisotopic Mass | 449.22022 |
| SMILES | CC1=C[C@@H](C(=O)c2c(O)c(-c3ccc(O)cc3)cnc2=O)[C@H](/C=C/CO)[C@H]2C[C@@H](C)CC[C@H]12 |
| InChI | InChI=1S/C27H31NO5/c1-15-5-10-19-16(2)13-22(20(4-3-11-29)21(19)12-15)25(31)24-26(32)23(14-28-27(24)33)17-6-8-18(30)9-7-17/h3-4,6-9,13-15,19-22,29-30H,5,10-12H2,1-2H3,(H2,28,32,33)/b4-3+/t15-,19+,20+,21-,22+/m0/s1 |
| InChIKey | SXNAFBWBFSABTB-GUGMBJANSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Emericellopsis fimetaria (ncbitaxon:327576) | - | PubMed (28805711) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Hydroxyl-ilicicolin H (CHEBI:212843) is a phenylpyridine (CHEBI:38193) |
| IUPAC Name |
|---|
| 3-[(1R,2S,4aS,7S,8aR)-1-[(E)-3-hydroxyprop-1-enyl]-4,7-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-2-carbonyl]-4-hydroxy-5-(4-hydroxyphenyl)-1H-pyridin-2-one |
| Manual Xrefs | Databases |
|---|---|
| 64186236 | ChemSpider |