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CHEBI:187428 - Clandestacarpin

Default Structure
ChEBI IDCHEBI:187428
ChEBI NameClandestacarpin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O5
Net Charge0
Average Mass336.343
Monoisotopic Mass336.09977
SMILESC=C(C)c1cc2c3c(ccc2o1)C1Oc2cc(O)ccc2C1(O)CO3
InChIInChI=1S/C20H16O5/c1-10(2)16-8-13-15(24-16)6-4-12-18(13)23-9-20(22)14-5-3-11(21)7-17(14)25-19(12)20/h3-8,19,21-22H,1,9H2,2H3
InChIKeyJHGGFHPIFBPWNE-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)
Clandestacarpin (CHEBI:187428) is a pterocarpans (CHEBI:26377)
IUPAC Name 
16-prop-1-en-2-yl-3,12,17-trioxapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),4(9),5,7,14(18),15,19-heptaene-6,10-diol
Manual XrefsDatabases
24843038ChemSpider
LMPK12070108LIPID MAPS