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CHEBI:169418 - Tephcalostan C

ChEBI IDCHEBI:169418
ChEBI NameTephcalostan C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H16O7
Net Charge0
Average Mass380.352
Monoisotopic Mass380.08960
SMILESCC1(C)CCc2c(cc3c(oc(=O)c4c5cc6c(cc5oc34)OCO6)c2O)O1
InChIInChI=1S/C21H16O7/c1-21(2)4-3-9-13(28-21)6-11-18-16(20(23)27-19(11)17(9)22)10-5-14-15(25-8-24-14)7-12(10)26-18/h5-7,22H,3-4,8H2,1-2H3
InChIKeyCRYRNGYGSBBFAR-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 C (CHEBI:169418) is a coumestans (CHEBI:72577)
IUPAC Name 
10-hydroxy-6,6-dimethyl-5,12,18,20,24-pentaoxahexacyclo[12.10.0.02,11.04,9.015,23.017,21]tetracosa-1(14),2,4(9),10,15,17(21),22-heptaen-13-one
Manual XrefsDatabases
24843101ChemSpider
LMPK12090003LIPID MAPS