EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H18O6 |
| Net Charge | 0 |
| Average Mass | 354.358 |
| Monoisotopic Mass | 354.11034 |
| SMILES | CO[C@@H]1[C@H](O)c2coc3c2[C@@](C)(c2ccc4c(c2C3=O)CCC4=O)[C@@H]1O |
| InChI | InChI=1S/C20H18O6/c1-20-11-5-3-8-9(4-6-12(8)21)13(11)16(23)17-14(20)10(7-26-17)15(22)18(25-2)19(20)24/h3,5,7,15,18-19,22,24H,4,6H2,1-2H3/t15-,18-,19-,20-/m1/s1 |
| InChIKey | JZAFRYPNQHUUMQ-HUYLIWGRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Trichoderma viride (ncbitaxon:5547) | - | DOI (10.1039/c2969000839a) |
| 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) |
| Viridiol (CHEBI:215292) is a phenanthrenes (CHEBI:25961) |
| IUPAC Name |
|---|
| (1R,16R,17S,18S)-16,18-dihydroxy-17-methoxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-6,11-dione |
| Manual Xrefs | Databases |
|---|---|
| 4573062 | ChemSpider |