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CHEBI:202491 - Sespenine

ChEBI IDCHEBI:202491
ChEBI NameSespenine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H29NO4
Net Charge0
Average Mass383.488
Monoisotopic Mass383.20966
SMILESC[C@]12CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]1CC[C@@]13C[C@@H](Nc4ccccc41)C(=O)C[C@@H]32
InChIInChI=1S/C23H29NO4/c1-21-9-8-19(26)22(2,20(27)28)17(21)7-10-23-12-15(16(25)11-18(21)23)24-14-6-4-3-5-13(14)23/h3-6,15,17-19,24,26H,7-12H2,1-2H3,(H,27,28)/t15-,17-,18-,19+,21+,22+,23-/m1/s1
InChIKeyUESFHRIHCVPQCD-IVIJAOBASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (21528153)
ChEBI Ontology
Outgoing Relation(s)
Sespenine (CHEBI:202491) is a steroid (CHEBI:35341)
IUPAC Name 
(1S,4R,5S,6S,9R,10R,13R)-6-hydroxy-5,9-dimethyl-12-oxo-14-azapentacyclo[11.7.1.01,10.04,9.015,20]henicosa-15,17,19-triene-5-carboxylic acid
Manual XrefsDatabases
27025491ChemSpider