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CHEBI:212194 - Asporyzin B

ChEBI IDCHEBI:212194
ChEBI NameAsporyzin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H37NO3
Net Charge0
Average Mass435.608
Monoisotopic Mass435.27734
SMILESCC(C)=C[C@H]1C[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2CC4(O)c5ccccc5N4C(=O)[C@@]23C)O1
InChIInChI=1S/C28H37NO3/c1-17(2)14-19-16-25(3)22-11-10-18-15-28(31)20-8-6-7-9-21(20)29(28)24(30)27(18,5)26(22,4)13-12-23(25)32-19/h6-9,14,18-19,22-23,31H,10-13,15-16H2,1-5H3/t18-,19-,22-,23-,25-,26-,27+,28?/m0/s1
InChIKeySPCHXPAJDYUPBJ-QFRRQRMOSA-N
Species of MetaboliteComponentSourceComments
Aspergillus oryzae (ncbitaxon:5062) - PubMed (20797856)
ChEBI Ontology
Outgoing Relation(s)
Asporyzin B (CHEBI:212194) is a oxo steroid (CHEBI:35789)
IUPAC Name 
(1S,2S,5S,7R,9S,10R,13S)-15-hydroxy-1,2,9-trimethyl-7-(2-methylprop-1-enyl)-6-oxa-22-azahexacyclo[11.10.0.02,10.05,9.015,22.016,21]tricosa-16,18,20-trien-23-one
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27025095ChemSpider