EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C13H20O2 |
| Net Charge | 0 |
| Average Mass | 208.301 |
| Monoisotopic Mass | 208.14633 |
| SMILES | CC1OC2(C)C=CCC(C)(C)C2=CC1O |
| InChI | InChI=1S/C13H20O2/c1-9-10(14)8-11-12(2,3)6-5-7-13(11,4)15-9/h5,7-10,14H,6H2,1-4H3 |
| InChIKey | ULAJGYNCWKGREU-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (5alpha,8beta,9beta)-5,9-Epoxy-3,6-megastigmadien-8-ol (CHEBI:167940) is a benzopyran (CHEBI:22727) |
| IUPAC Name |
|---|
| 2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromen-3-ol |
| Manual Xrefs | Databases |
|---|---|
| HMDB0034672 | HMDB |
| 35013768 | ChemSpider |