EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C19H18O4 |
| Net Charge | 0 |
| Average Mass | 310.349 |
| Monoisotopic Mass | 310.12051 |
| SMILES | CC1Cc2ccc3c(c2C(O)C1)C(=O)c1cccc(O)c1C3O |
| InChI | InChI=1S/C19H18O4/c1-9-7-10-5-6-12-17(15(10)14(21)8-9)19(23)11-3-2-4-13(20)16(11)18(12)22/h2-6,9,14,18,20-22H,7-8H2,1H3 |
| InChIKey | FDVOVSCQDWKKHH-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Valsa sordida (ncbitaxon:252740) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS4463) |
| Roles Classification |
|---|
| Biological Role: | xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1,7,8-trihydroxy-3-methyl-1,2,3,4,7,12-hexahydrotetraphen-12-one (CHEBI:192588) is a phenanthrol (CHEBI:25962) |
| IUPAC Name |
|---|
| 1,7,8-trihydroxy-3-methyl-2,3,4,7-tetrahydro-1H-benzo[a]anthracen-12-one |
| Manual Xrefs | Databases |
|---|---|
| 22369704 | ChemSpider |