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CHEBI:224446 - Penicisochroman I
| Formula | C15H22O5 |
| Net Charge | 0 |
| Average Mass | 282.336 |
| Monoisotopic Mass | 282.14672 |
| SMILES | C[C@H](O)[C@@H](O)c1ccc2c(c1CO)OC(C(C)(C)O)C2 |
| InChI | InChI=1S/C15H22O5/c1-8(17)13(18)10-5-4-9-6-12(15(2,3)19)20-14(9)11(10)7-16/h4-5,8,12-13,16-19H,6-7H2,1-3H3/t8-,12?,13+/m0/s1 |
| InChIKey | JOHWLVUKAYKVGY-XTWJBHNRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicillium (ncbitaxon:5073) | - | DOI (10.1016/j.phytol.2014.06.018) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Penicisochroman I (CHEBI:224446) is a 1-benzofurans (CHEBI:38830) |
| IUPAC Name |
|---|
| (1S,2S)-1-[7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzouran-6-yl]propane-1,2-diol |
| Manual Xrefs | Databases |
|---|---|
| 78437748 | ChemSpider |