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CHEBI:177859 - andilesin A
| Formula | C25H32O6 |
| Net Charge | 0 |
| Average Mass | 428.525 |
| Monoisotopic Mass | 428.21989 |
| SMILES | [H][C@@]12C[C@@]3(C)C(=O)[C@@]4(C)C[C@]1(CC[C@@]1([H])C(C)(C)OC(=O)C=C[C@]21C)[C@@]31COC(=O)[C@H]1[C@H]4O |
| InChI | InChI=1S/C25H32O6/c1-20(2)13-6-9-24-11-22(4)17(27)16-18(28)30-12-25(16,24)23(5,19(22)29)10-14(24)21(13,3)8-7-15(26)31-20/h7-8,13-14,16-17,27H,6,9-12H2,1-5H3/t13-,14-,16+,17+,21-,22-,23-,24-,25+/m0/s1 |
| InChIKey | SJSNDUDHAXBERS-ABGUQTIISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Sus scrofa (ncbitaxon:9823) | sausage (ENVO:00002166) | MetaboLights (MTBLS2871) | |
| Aspergillus stellatus (ncbitaxon:1549217) | - | PubMed (29192449) | Species also known as Emericella variecolor. |
| Roles Classification |
|---|
| Biological Roles: | Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| andilesin A (CHEBI:177859) has role Aspergillus metabolite (CHEBI:76956) |
| andilesin A (CHEBI:177859) has role marine metabolite (CHEBI:76507) |
| andilesin A (CHEBI:177859) is a cyclic ketone (CHEBI:3992) |
| andilesin A (CHEBI:177859) is a meroterpenoid (CHEBI:64419) |
| andilesin A (CHEBI:177859) is a organic heterohexacyclic compound (CHEBI:51914) |
| andilesin A (CHEBI:177859) is a secondary alcohol (CHEBI:35681) |
| andilesin A (CHEBI:177859) is a γ-lactone (CHEBI:37581) |
| andilesin A (CHEBI:177859) is a ε-lactone (CHEBI:50239) |
| Incoming Relation(s) |
| O-acetylandilesin A (CHEBI:232445) has functional parent andilesin A (CHEBI:177859) |
| IUPAC Name |
|---|
| (3aR,4R,5S,6aR,7aS,7bR,12aR,14aS,14bR)-4-hydroxy-5,6a,7b,12,12-pentamethyl-4,5,6a,7,7a,7b,12,12a,13,14-decahydro-5,14a-methanofuro[3',4':4b,5]fluoreno[2,1-c]oxepine-3,6,10(3aH)-trione |
| Synonym | Source |
|---|---|
| andilesin | ChEBI |
| UniProt Name | Source |
|---|---|
| andilesin A | UniProt |
| Citations |
|---|