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CHEBI:207417 - Stachybonoid E
| Formula | C26H35NO6 |
| Net Charge | 0 |
| Average Mass | 457.567 |
| Monoisotopic Mass | 457.24644 |
| SMILES | COC(=O)CN1Cc2c(cc(O)c3c2O[C@]2(C3)[C@H](C)CC[C@H]3C(C)(C)[C@H](O)CC[C@@]32C)C1=O |
| InChI | InChI=1S/C26H35NO6/c1-14-6-7-19-24(2,3)20(29)8-9-25(19,4)26(14)11-16-18(28)10-15-17(22(16)33-26)12-27(23(15)31)13-21(30)32-5/h10,14,19-20,28-29H,6-9,11-13H2,1-5H3/t14-,19+,20-,25+,26-/m1/s1 |
| InChIKey | RNMGZYWEQZGKMK-SODKROJQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Stachybotrys (ncbitaxon:74721) | - | DOI (10.1039/c7ra09859f) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Stachybonoid E (CHEBI:207417) is a α-amino acid ester (CHEBI:46874) |
| IUPAC Name |
|---|
| methyl 2-[(3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrouro[2,3-e]isoindole]-7'-yl]acetate |
| Manual Xrefs | Databases |
|---|---|
| 62453206 | ChemSpider |