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CHEBI:185627 - 20-acetoxy-clavulone I

ChEBI IDCHEBI:185627
ChEBI Name20-acetoxy-clavulone I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O9
Net Charge0
Average Mass504.576
Monoisotopic Mass504.23593
SMILESCOC(=O)CC[C@H](/C=C\C=C1\C(=O)C=C[C@]1(C/C=C\CCCCCOC(C)=O)OC(C)=O)OC(C)=O
InChIInChI=1S/C27H36O9/c1-20(28)34-19-10-8-6-5-7-9-17-27(36-22(3)30)18-16-25(31)24(27)13-11-12-23(35-21(2)29)14-15-26(32)33-4/h7,9,11-13,16,18,23H,5-6,8,10,14-15,17,19H2,1-4H3/b9-7-,12-11-,24-13-/t23-,27-/m0/s1
InChIKeyLHIPZWGSDUHLAW-GLZYZVBFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
20-acetoxy-clavulone I (CHEBI:185627) is a clavulone (CHEBI:36092)
IUPAC Name 
methyl (Z,4R,7E)-4-acetyloxy-7-[(2S)-2-acetyloxy-2-[(Z)-8-acetyloxyoct-2-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate
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4446340ChemSpider
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