EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H38O8 |
| Net Charge | 0 |
| Average Mass | 490.593 |
| Monoisotopic Mass | 490.25667 |
| SMILES | CC(=O)O[C@@H]1C2=CC[C@@H]3C4=C(C(C)C)C[C@H](O)[C@]4(C)CC[C@@]3(C)[C@H]3O[C@@H]4OC[C@@]1(O)[C@H](O)[C@]4(O)[C@H]23 |
| InChI | InChI=1S/C27H38O8/c1-12(2)15-10-17(29)25(5)9-8-24(4)16(18(15)25)7-6-14-19-21(24)35-23-27(19,32)22(30)26(31,11-33-23)20(14)34-13(3)28/h6,12,16-17,19-23,29-32H,7-11H2,1-5H3/t16-,17+,19-,20-,21+,22+,23+,24-,25+,26+,27-/m1/s1 |
| InChIKey | NWQFLEJNKAILDU-UEXWUNLFSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Cyathus striatus (ncbitaxon:68777) | - | PubMed (25746852) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Striatoid E (CHEBI:221011) is a diterpenoid (CHEBI:23849) |
| IUPAC Name |
|---|
| [(4R,8S,9R,12R,13S,15S,18R,19S,20R,21R,22R)-8,18,19,20-tetrahydroxy-9,12-dimethyl-6-propan-2-yl-14,16-dioxahexacyclo[16.3.1.04,12.05,9.013,21.015,20]docosa-1,5-dien-22-yl] acetate |
| Manual Xrefs | Databases |
|---|---|
| 59004878 | ChemSpider |