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CHEBI:220330 - Ergosterimide

ChEBI IDCHEBI:220330
ChEBI NameErgosterimide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H45NO3
Net Charge0
Average Mass491.716
Monoisotopic Mass491.33994
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)C1C[C@H]2C3=C4C(CC[C@@]31C)[C@@]1(C)CC[C@H](O)CC1=C[C@H]4[C@@H]1C(=O)NC(=O)[C@@H]12
InChIInChI=1S/C32H45NO3/c1-16(2)17(3)7-8-18(4)24-15-22-27-26(29(35)33-30(27)36)21-14-19-13-20(34)9-11-31(19,5)23-10-12-32(24,6)28(22)25(21)23/h7-8,14,16-18,20-24,26-27,34H,9-13,15H2,1-6H3,(H,33,35,36)/b8-7+/t17-,18+,20-,21+,22+,23?,24?,26-,27+,31-,32+/m0/s1
InChIKeyUVJQWIZGFAYGJK-YJNQILDBSA-N
Species of MetaboliteComponentSourceComments
Aspergillus niger (ncbitaxon:5061) - PubMed (17628622)
ChEBI Ontology
Outgoing Relation(s)
Ergosterimide (CHEBI:220330) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(1S,5S,8R,12R,15R,16R,20S)-13-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-5-hydroxy-8,12-dimethyl-18-azahexacyclo[10.8.2.03,8.09,21.015,22.016,20]docosa-2,21-diene-17,19-dione
Manual XrefsDatabases
23076479ChemSpider