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CHEBI:187976 - Nebrosteroid L

ChEBI IDCHEBI:187976
ChEBI NameNebrosteroid L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O4
Net Charge0
Average Mass470.694
Monoisotopic Mass470.33961
SMILES[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=C)C(C)C)[C@]1([H])[C@@H](OC(C)=O)C=C1C[C@@H](O)CC[C@@]12C=O
InChIInChI=1S/C30H46O4/c1-18(2)19(3)7-8-20(4)24-9-10-25-28-26(12-13-29(24,25)6)30(17-31)14-11-23(33)15-22(30)16-27(28)34-21(5)32/h16-18,20,23-28,33H,3,7-15H2,1-2,4-6H3/t20-,23+,24-,25+,26+,27+,28+,29-,30-/m1/s1
InChIKeyIBIAIUYXFVWVBU-VGBUTIAVSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Nebrosteroid L (CHEBI:187976) is a ergostanoid (CHEBI:50403)
IUPAC Name 
[(3S,7R,8S,9S,10S,13R,14S,17R)-10-ormyl-3-hydroxy-13-methyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl] acetate
Manual XrefsDatabases
27024112ChemSpider
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