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CHEBI:197625 - Chloriolin C

ChEBI IDCHEBI:197625
ChEBI NameChloriolin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H35ClO6
Net Charge0
Average Mass442.980
Monoisotopic Mass442.21222
SMILESCCCCCCCC(=O)O[C@@H]1[C@@H]2[C@H](CC1(C)C)[C@H](O)C1=C(Cl)C(=O)[C@@](O)(CO)[C@]12C
InChIInChI=1S/C23H35ClO6/c1-5-6-7-8-9-10-14(26)30-20-15-13(11-21(20,2)3)18(27)16-17(24)19(28)23(29,12-25)22(15,16)4/h13,15,18,20,25,27,29H,5-12H2,1-4H3/t13-,15-,18-,20+,22-,23-/m0/s1
InChIKeyYDXXLMJEKBHUEM-OXYHHQORSA-N
ChEBI Ontology
Outgoing Relation(s)
Chloriolin C (CHEBI:197625) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(3S,3aS,3bR,4R,6aS,7S)-1-chloro-3,7-dihydroxy-3-(hydroxymethyl)-3a,5,5-trimethyl-2-oxo-4,6,6a,7-tetrahydro-3bH-cyclopenta[a]pentalen-4-yl] octanoate
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