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CHEBI:165255 - 10,11-Epoxy-chlorovulone I

ChEBI IDCHEBI:165255
ChEBI Name10,11-Epoxy-chlorovulone I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H29ClO5
Net Charge0
Average Mass396.911
Monoisotopic Mass396.17035
SMILESCCCCC/C=C\C[C@]1(O)/C(=C\C=C/CCCC(=O)OC)C(=O)[C@@]2(Cl)O[C@H]21
InChIInChI=1S/C21H29ClO5/c1-3-4-5-6-9-12-15-20(25)16(18(24)21(22)19(20)27-21)13-10-7-8-11-14-17(23)26-2/h7,9-10,12-13,19,25H,3-6,8,11,14-15H2,1-2H3/b10-7-,12-9-,16-13-/t19-,20-,21+/m0/s1
InChIKeyVQTGQBDTRZNQSB-ZKVKOFCJSA-N
ChEBI Ontology
Outgoing Relation(s)
10,11-Epoxy-chlorovulone I (CHEBI:165255) is a clavulone (CHEBI:36092)
IUPAC Name 
methyl (Z,7E)-7-[(1R,4S,5S)-1-chloro-4-hydroxy-4-[(Z)-oct-2-enyl]-2-oxo-6-oxabicyclo[3.1.0]hexan-3-ylidene]hept-5-enoate
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