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CHEBI:167213 - fumisoquin C
| Formula | C13H10N2O6 |
| Net Charge | 0 |
| Average Mass | 290.231 |
| Monoisotopic Mass | 290.05389 |
| SMILES | [H][C@@]1(C(=O)O)C[C@H](O)c2ncc3c(c2N1)C(=O)C=C(O)C3=O |
| InChI | InChI=1S/C13H10N2O6/c16-6-2-8(18)12(19)4-3-14-10-7(17)1-5(13(20)21)15-11(10)9(4)6/h2-3,5,7,15,17-18H,1H2,(H,20,21)/t5-,7-/m0/s1 |
| InChIKey | OXRREVNRXZHHAX-FSPLSTOPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus fumigatus (ncbitaxon:746128) | - | PubMed (27065235) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | 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) |
| fumisoquin C (CHEBI:167213) has role Aspergillus metabolite (CHEBI:76956) |
| fumisoquin C (CHEBI:167213) is a diol (CHEBI:23824) |
| fumisoquin C (CHEBI:167213) is a isoquinoline alkaloid (CHEBI:24921) |
| fumisoquin C (CHEBI:167213) is a monocarboxylic acid (CHEBI:25384) |
| fumisoquin C (CHEBI:167213) is a organic heterotricyclic compound (CHEBI:26979) |
| fumisoquin C (CHEBI:167213) is conjugate acid of fumisoquin C(1−) (CHEBI:167201) |
| Incoming Relation(s) |
| fumisoquin C(1−) (CHEBI:167201) is conjugate base of fumisoquin C (CHEBI:167213) |
| IUPAC Name |
|---|
| (2S,4S)-4,8-dihydroxy-7,10-dioxo-1,2,3,4,7,10-hexahydrobenzo[c][1,5]naphthyridine-2-carboxylic acid |
| Synonym | Source |
|---|---|
| (2S,4S)-4,8-dihydroxy-7,10-dioxo-1H,2H,3H,4H,7H,10H-cyclohexa[c]1,5-naphthyridine-2-carboxylic acid | IUPAC |
| Manual Xrefs | Databases |
|---|---|
| C00051875 | KNApSAcK |
| Citations |
|---|