EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:223334 - andilesin C
| Formula | C25H32O5 |
| Net Charge | 0 |
| Average Mass | 412.526 |
| Monoisotopic Mass | 412.22497 |
| SMILES | [H][C@@]12C[C@@]3(C)C(=O)[C@]4(C)C[C@@H]5C(=O)OC[C@@]53[C@@]1(CC[C@@]1([H])C(C)(C)OC(=O)C=C[C@]21C)C4 |
| InChI | InChI=1S/C25H32O5/c1-20(2)15-6-9-24-12-21(3)10-14-18(27)29-13-25(14,24)23(5,19(21)28)11-16(24)22(15,4)8-7-17(26)30-20/h7-8,14-16H,6,9-13H2,1-5H3/t14-,15+,16+,21-,22+,23+,24+,25-/m1/s1 |
| InChIKey | UOLOMGXHYRADOZ-HMAPIXHDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus stellatus (ncbitaxon:1549217) | - | PubMed (29192449) | Species also known as Emericella variecolor. |
| Roles Classification |
|---|
| Biological Roles: | marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . 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 C (CHEBI:223334) has role Aspergillus metabolite (CHEBI:76956) |
| andilesin C (CHEBI:223334) has role marine metabolite (CHEBI:76507) |
| andilesin C (CHEBI:223334) is a cyclic ketone (CHEBI:3992) |
| andilesin C (CHEBI:223334) is a meroterpenoid (CHEBI:64419) |
| andilesin C (CHEBI:223334) is a organic heterohexacyclic compound (CHEBI:51914) |
| andilesin C (CHEBI:223334) is a γ-lactone (CHEBI:37581) |
| andilesin C (CHEBI:223334) is a ε-lactone (CHEBI:50239) |
| IUPAC Name |
|---|
| (3aS,5R,6aR,7aS,7bR,12aR,14aS,14bR)-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 |
|---|---|
| 4-deoxyandilesin | ChEBI |
| UniProt Name | Source |
|---|---|
| andilesin C | UniProt |
| Citations |
|---|