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CHEBI:216458 - Nitrobisabosqual B
| Formula | C25H33NO6 |
| Net Charge | 0 |
| Average Mass | 443.540 |
| Monoisotopic Mass | 443.23079 |
| SMILES | C=C(C)[C@H](O)CC[C@]1(C)Oc2cc3c(c4c2[C@H]2[C@@H](O4)[C@@](C)(O)CC[C@H]21)CN(CCO)C3=O |
| InChI | InChI=1S/C25H33NO6/c1-13(2)17(28)6-8-25(4)16-5-7-24(3,30)22-19(16)20-18(32-25)11-14-15(21(20)31-22)12-26(9-10-27)23(14)29/h11,16-17,19,22,27-28,30H,1,5-10,12H2,2-4H3/t16-,17-,19+,22-,24+,25+/m1/s1 |
| InChIKey | DFGYWVNOFLPOGF-RKSAHZJKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Stachybotrys (ncbitaxon:74721) | - | PubMed (29966225) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Nitrobisabosqual B (CHEBI:216458) is a isoindoles (CHEBI:24897) |
| IUPAC Name |
|---|
| (10S,11R,14S,15R,16S)-14-hydroxy-4-(2-hydroxyethyl)-10-[(3R)-3-hydroxy-4-methylpent-4-enyl]-10,14-dimethyl-9,18-dioxa-4-azapentacyclo[13.2.1.02,6.08,17.011,16]octadeca-1,6,8(17)-trien-5-one |