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CHEBI:172513 - Ascochitine
| Formula | C15H16O5 |
| Net Charge | 0 |
| Average Mass | 276.288 |
| Monoisotopic Mass | 276.09977 |
| SMILES | CC[C@H](C)c1occ2c(O)c(C(=O)O)c(=O)cc-2c1C |
| InChI | InChI=1S/C15H16O5/c1-4-7(2)14-8(3)9-5-11(16)12(15(18)19)13(17)10(9)6-20-14/h5-7,17H,4H2,1-3H3,(H,18,19)/t7-/m0/s1 |
| InChIKey | DZBCEUTUWOWUDY-ZETCQYMHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood plasma (BTO:0000131) | MetaboLights (MTBLS2633) | |
| Ascochyta (ncbitaxon:5453) | - | DOI (10.1039/p19800000675) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ascochitine (CHEBI:172513) is a benzenes (CHEBI:22712) |
| Ascochitine (CHEBI:172513) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| 3-[(2S)-butan-2-yl]-8-hydroxy-4-methyl-6-oxoisochromene-7-carboxylic acid |