EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H22O6 |
| Net Charge | 0 |
| Average Mass | 298.335 |
| Monoisotopic Mass | 298.14164 |
| SMILES | CC1=CC2OC3C(O)C(O)C(C)(C2(CO)CC1O)C31CO1 |
| InChI | InChI=1S/C15H22O6/c1-7-3-9-14(5-16,4-8(7)17)13(2)11(19)10(18)12(21-9)15(13)6-20-15/h3,8-12,16-19H,4-6H2,1-2H3 |
| InChIKey | ZAXZBJSXSOISTF-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood plasma (BTO:0000131) | MetaboLights (MTBLS2633) |
| Roles Classification |
|---|
| Biological Role: | mycotoxin Poisonous substance produced by fungi. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Toxin T2 tetrol (CHEBI:172528) is a trichothecene (CHEBI:55517) |
| IUPAC Name |
|---|
| 2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4,10,11-triol |
| Synonym | Source |
|---|---|
| 12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| HMDB0036159 | HMDB |
| 521016 | ChemSpider |