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CHEBI:183915 - 3-[(2S,9R,10R,11S,14R,15S)-14-Hydroxy-9-methoxycarbonyl-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-en-14-yl]propanoic acid

Default Structure
ChEBI IDCHEBI:183915
ChEBI Name3-[(2S,9R,10R,11S,14R,15S)-14-Hydroxy-9-methoxycarbonyl-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-en-14-yl]propanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O7
Net Charge0
Average Mass432.513
Monoisotopic Mass432.21480
SMILES[H][C@@]12CC[C@@](O)(CCC(=O)O)[C@@]1(C)CC1OC13[C@@]1(C)CCC(=O)C=C1C[C@@H](C(=O)OC)[C@]32[H]
InChIInChI=1S/C24H32O7/c1-21-7-4-14(25)10-13(21)11-15(20(28)30-3)19-16-5-8-23(29,9-6-18(26)27)22(16,2)12-17-24(19,21)31-17/h10,15-17,19,29H,4-9,11-12H2,1-3H3,(H,26,27)/t15-,16+,17?,19+,21+,22+,23-,24?/m1/s1
InChIKeyXNSDIIWFWKXZBT-FXGNOGIFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
ChEBI Ontology
Outgoing Relation(s)
3-[(2S,9R,10R,11S,14R,15S)-14-Hydroxy-9-methoxycarbonyl-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-en-14-yl]propanoic acid (CHEBI:183915) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
3-[(2S,9R,10R,11S,14R,15S)-14-hydroxy-9-methoxycarbonyl-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-en-14-yl]propanoic acid