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CHEBI:174820 - Cyclocalopin C1

ChEBI IDCHEBI:174820
ChEBI NameCyclocalopin C1
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O6
Net Charge0
Average Mass296.319
Monoisotopic Mass296.12599
SMILESC=C1C=CC2(C(O)C1O)C1C(C)COC(=O)C1OC2(C)O
InChIInChI=1S/C15H20O6/c1-7-4-5-15(12(17)10(7)16)9-8(2)6-20-13(18)11(9)21-14(15,3)19/h4-5,8-12,16-17,19H,1,6H2,2-3H3
InChIKeyJCKVAXRAVFAUJA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Cyclocalopin C1 (CHEBI:174820) is a furopyran (CHEBI:74927)
IUPAC Name 
2,4',5'-trihydroxy-2,4-dimethyl-6'-methylidenespiro[3a,4,5,7a-tetrahydrouro[2,3-c]pyran-3,3'-cyclohexene]-7-one
Manual XrefsDatabases
HMDB0039812HMDB
35014881ChemSpider