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CHEBI:195182 - 3b-hydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8b-olide

ChEBI IDCHEBI:195182
ChEBI Name3b-hydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8b-olide
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Submittermwilliams
DownloadsMolfile
FormulaC20H29ClO6
Net Charge0
Average Mass400.899
Monoisotopic Mass400.16527
SMILESCC1=C2C(CC3CCC(O)C(C)C3(C)C2OC(=O)C(C)(O)C(C)Cl)OC1=O
InChIInChI=1S/C20H29ClO6/c1-9-15-14(26-17(9)23)8-12-6-7-13(22)10(2)19(12,4)16(15)27-18(24)20(5,25)11(3)21/h10-14,16,22,25H,6-8H2,1-5H3
InChIKeyGDXCVSFALPNRCV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3b-hydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8b-olide (CHEBI:195182) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(6-hydroxy-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,8a,9,9a-octahydrobenzo[][1]benzouran-4-yl) 3-chloro-2-hydroxy-2-methylbutanoate
Manual XrefsDatabases
HMDB0041278HMDB