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CHEBI:205821 - Stachybotrin E
| Formula | C24H33NO4 |
| Net Charge | 0 |
| Average Mass | 399.531 |
| Monoisotopic Mass | 399.24096 |
| SMILES | C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN(C)C3=O |
| InChI | InChI=1S/C24H33NO4/c1-13-6-7-18-22(2,3)19(27)8-9-23(18,4)24(13)11-15-17(26)10-14-16(20(15)29-24)12-25(5)21(14)28/h10,13,18-19,26-27H,6-9,11-12H2,1-5H3/t13-,18+,19-,23+,24-/m1/s1 |
| InChIKey | XHVFITDLBAUSAV-ANHHWASESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Stachybotrys chartarum (ncbitaxon:74722) | - | PubMed (30614271) | |
| Stachybotrys (ncbitaxon:74721) | - | PubMed (24308675) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Stachybotrin E (CHEBI:205821) is a isoindoles (CHEBI:24897) |
| IUPAC Names |
|---|
| (3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-4,4,7,7',8a-pentamethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrouro[2,3-e]isoindole]-6'-one |
| (2S)-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]-5-methoxy-5-oxopentanoic acid |