EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:210940 - Sterenin I
| Formula | C26H32O10 |
| Net Charge | 0 |
| Average Mass | 504.532 |
| Monoisotopic Mass | 504.19955 |
| SMILES | CC(=O)OC[C@@H](O)COCc1c(CO)cc(OC(=O)c2c(C)cc(O)cc2O)c(CC=C(C)C)c1O |
| InChI | InChI=1S/C26H32O10/c1-14(2)5-6-20-23(36-26(33)24-15(3)7-18(29)9-22(24)31)8-17(10-27)21(25(20)32)13-34-11-19(30)12-35-16(4)28/h5,7-9,19,27,29-32H,6,10-13H2,1-4H3/t19-/m0/s1 |
| InChIKey | MPUDXKXLMMLLDZ-IBGZPJMESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Stereum hirsutum (ncbitaxon:40492) | - | PubMed (25029175) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Sterenin I (CHEBI:210940) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| [4-[(3-acetyloxy-2-hydroxypropoxy)methyl]-3-hydroxy-5-(hydroxymethyl)-2-(3-methylbut-2-enyl)phenyl] 2,4-dihydroxy-6-methylbenzoate |
| Manual Xrefs | Databases |
|---|---|
| 78435366 | ChemSpider |