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CHEBI:216452 - Nitrobisabosqual A

ChEBI IDCHEBI:216452
ChEBI NameNitrobisabosqual A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H33NO5
Net Charge0
Average Mass427.541
Monoisotopic Mass427.23587
SMILESCC(C)=CCC[C@]1(C)Oc2cc3c(c4c2[C@H]2[C@@H](O4)[C@@](C)(O)CC[C@H]21)CN(CCO)C3=O
InChIInChI=1S/C25H33NO5/c1-14(2)6-5-8-25(4)17-7-9-24(3,29)22-19(17)20-18(31-25)12-15-16(21(20)30-22)13-26(10-11-27)23(15)28/h6,12,17,19,22,27,29H,5,7-11,13H2,1-4H3/t17-,19+,22-,24+,25+/m1/s1
InChIKeyABUXPUHILMSEAW-LEDYHFPJSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (29966225)
ChEBI Ontology
Outgoing Relation(s)
Nitrobisabosqual A (CHEBI:216452) is a isoindoles (CHEBI:24897)
IUPAC Name 
(10S,11R,14S,15R,16S)-14-hydroxy-4-(2-hydroxyethyl)-10,14-dimethyl-10-(4-methylpent-3-enyl)-9,18-dioxa-4-azapentacyclo[13.2.1.02,6.08,17.011,16]octadeca-1,6,8(17)-trien-5-one