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CHEBI:219836 - anditomin
| Formula | C25H30O5 |
| Net Charge | 0 |
| Average Mass | 410.510 |
| Monoisotopic Mass | 410.20932 |
| SMILES | [H][C@]12C(=C)[C@@]34COC(=O)[C@H]3C[C@](C)(C[C@]43CC[C@@]4([H])C(C)(C)OC(=O)C=C[C@]4(C)[C@]13[H])C2=O |
| InChI | InChI=1S/C25H30O5/c1-13-17-18-23(5)8-7-16(26)30-21(2,3)15(23)6-9-24(18)11-22(4,19(17)27)10-14-20(28)29-12-25(13,14)24/h7-8,14-15,17-18H,1,6,9-12H2,2-5H3/t14-,15+,17?,18+,22-,23+,24+,25+/m1/s1 |
| InChIKey | HWLYZRWDCDSFFO-VIJQBOBYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus stellatus (ncbitaxon:1549217) | - | DOI (10.1039/c39810000914) | Species also known as Aspergillus 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) |
| anditomin (CHEBI:219836) has role Aspergillus metabolite (CHEBI:76956) |
| anditomin (CHEBI:219836) has role marine metabolite (CHEBI:76507) |
| anditomin (CHEBI:219836) is a cyclic ketone (CHEBI:3992) |
| anditomin (CHEBI:219836) is a meroterpenoid (CHEBI:64419) |
| anditomin (CHEBI:219836) is a organic heterohexacyclic compound (CHEBI:51914) |
| anditomin (CHEBI:219836) is a γ-lactone (CHEBI:37581) |
| anditomin (CHEBI:219836) is a ε-lactone (CHEBI:50239) |
| IUPAC Name |
|---|
| (5aR,7aS,9R,10aS,13aS,15aS,15bR)-5,5,9,15b-tetramethyl-14-methylidene-5,5a,6,7,8,9,10,10a,14,15,15a,15b-dodecahydro-3H,11H-9,15-methanooxepino[4',3':4,5]indeno[1,7a-d][2]benzofuran-3,11,16-trione |
| UniProt Name | Source |
|---|---|
| anditomin | UniProt |
| Citations |
|---|