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CHEBI:175889 - Cyclocalopin B

ChEBI IDCHEBI:175889
ChEBI NameCyclocalopin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O8
Net Charge0
Average Mass382.409
Monoisotopic Mass382.16277
SMILES[H][C@]12[C@H](C)COC(=O)[C@@]1([H])O[C@@](C)(O)[C@@]21CC=C(C)[C@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C19H26O8/c1-9-6-7-19(16(26-12(4)21)14(9)25-11(3)20)13-10(2)8-24-17(22)15(13)27-18(19,5)23/h6,10,13-16,23H,7-8H2,1-5H3/t10-,13+,14+,15+,16-,18-,19+/m1/s1
InChIKeyOAMXBKFTDLDKCN-QKVVFIBJSA-N
ChEBI Ontology
Outgoing Relation(s)
Cyclocalopin B (CHEBI:175889) is a furopyran (CHEBI:74927)
IUPAC Name 
[(1'S,2R,3S,3aR,4S,6'S,7aS)-6'-acetyloxy-2-hydroxy-2,2',4-trimethyl-7-oxospiro[3a,4,5,7a-tetrahydrouro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1'-yl] acetate
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