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CHEBI:169223 - Tephcalostan B

ChEBI IDCHEBI:169223
ChEBI NameTephcalostan B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H12O6
Net Charge0
Average Mass348.310
Monoisotopic Mass348.06339
SMILESC=CC1Cc2cc3c(cc2O1)oc(=O)c1c2cc4c(cc2oc31)OCO4
InChIInChI=1S/C20H12O6/c1-2-10-3-9-4-12-15(6-13(9)24-10)26-20(21)18-11-5-16-17(23-8-22-16)7-14(11)25-19(12)18/h2,4-7,10H,1,3,8H2
InChIKeyXRNDFPSMTRXUIT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Tephcalostan B (CHEBI:169223) is a coumestans (CHEBI:72577)
IUPAC Name 
6-ethenyl-7,11,17,19,23-pentaoxahexacyclo[11.10.0.02,10.04,8.014,22.016,20]tricosa-1(13),2(10),3,8,14,16(20),21-heptaen-12-one
Manual XrefsDatabases
24843100ChemSpider
LMPK12090002LIPID MAPS