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CHEBI:202929 - Mer-NF8054A

ChEBI IDCHEBI:202929
ChEBI NameMer-NF8054A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O4
Net Charge0
Average Mass444.656
Monoisotopic Mass444.32396
SMILESCC(C)C(C)C(O)C1CC23CCC4(O)C(=C2CCC3C1C)C=CC1(O)CC(O)CCC14C
InChIInChI=1S/C28H44O4/c1-16(2)17(3)24(30)20-15-26-12-13-28(32)23(22(26)7-6-21(26)18(20)4)9-11-27(31)14-19(29)8-10-25(27,28)5/h9,11,16-21,24,29-32H,6-8,10,12-15H2,1-5H3
InChIKeyWEAFTKGZNMAOMY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (8040058)
ChEBI Ontology
Outgoing Relation(s)
Mer-NF8054A (CHEBI:202929) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
7-(1-hydroxy-2,3-dimethylbutyl)-6,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1,19-diene-12,16,18-triol
Manual XrefsDatabases
8179175ChemSpider