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CHEBI:187498 - Nomilinic acid

ChEBI IDCHEBI:187498
ChEBI NameNomilinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36O10
Net Charge0
Average Mass532.586
Monoisotopic Mass532.23085
SMILESCC(=O)OC(CC(=O)O)C1(C)C(C(C)(C)O)CC(=O)C2(C)C1CCC1(C)C(c3ccoc3)OC(=O)C3OC312
InChIInChI=1S/C28H36O10/c1-14(29)36-19(12-20(31)32)26(5)16-7-9-25(4)21(15-8-10-35-13-15)37-23(33)22-28(25,38-22)27(16,6)18(30)11-17(26)24(2,3)34/h8,10,13,16-17,19,21-22,34H,7,9,11-12H2,1-6H3,(H,31,32)
InChIKeyZIKZPLSIAVHITA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Nomilinic acid (CHEBI:187498) is a steroid lactone (CHEBI:26766)
IUPAC Name 
3-acetyloxy-3-[11-(uran-3-yl)-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]propanoic acid
Manual XrefsDatabases
HMDB0035771HMDB
35014016ChemSpider