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CHEBI:210951 - Mer-NF8054X

ChEBI IDCHEBI:210951
ChEBI NameMer-NF8054X
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O5
Net Charge0
Average Mass458.639
Monoisotopic Mass458.30322
SMILESCC(C)C(C)C(O)C1CC23CC(=O)C4(O)C(=C2CCC3C1C)C=CC1(O)CC(O)CCC14C
InChIInChI=1S/C28H42O5/c1-15(2)16(3)24(31)19-13-26-14-23(30)28(33)22(21(26)7-6-20(26)17(19)4)9-11-27(32)12-18(29)8-10-25(27,28)5/h9,11,15-20,24,29,31-33H,6-8,10,12-14H2,1-5H3
InChIKeyMUYUFHKTKLPWIW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (8040058)
ChEBI Ontology
Outgoing Relation(s)
Mer-NF8054X (CHEBI:210951) is a 11-oxo steroid (CHEBI:47787)
IUPAC Name 
12,16,18-trihydroxy-7-(1-hydroxy-2,3-dimethylbutyl)-6,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1,19-dien-11-one
Manual XrefsDatabases
8179919ChemSpider