EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H38O10 |
| Net Charge | 0 |
| Average Mass | 510.580 |
| Monoisotopic Mass | 510.24650 |
| SMILES | C=C[C@@]1(C)CCC2=C(C1)C(=O)C[C@H]1[C@@](C)(CO[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H](O)C[C@]21C |
| InChI | InChI=1S/C26H38O10/c1-5-24(2)7-6-13-12(9-24)14(27)8-16-25(13,3)10-15(28)21(32)26(16,4)11-35-23-19(31)17(29)18(30)20(36-23)22(33)34/h5,15-21,23,28-32H,1,6-11H2,2-4H3,(H,33,34)/t15-,16-,17-,18+,19+,20+,21+,23-,24+,25-,26-/m1/s1 |
| InChIKey | BRWITXYLSBSBFD-OCSYXFRTSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Acremonium (ncbitaxon:159075) | - | PubMed (31671910) |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Virescenoside Z11 (CHEBI:209022) is a steroid saponin (CHEBI:61655) |
| IUPAC Name |
|---|
| (2S,3S,4R,5S,6R)-6-[[(1S,2R,3R,4aS,7S,10aR)-7-ethenyl-2,3-dihydroxy-1,4a,7-trimethyl-9-oxo-2,3,4,5,6,8,10,10a-octahydrophenanthren-1-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 81363730 | ChemSpider |