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CHEBI:216693 - (1aS,3R,4R,4aR,6S,7R,8aS)-7-Chloro-3,6-dihydroxy-3,4a,8,8-tetramethyl-octahydro-1aH-naphtho[1-b]oxirene-4-carboxylic acid

ChEBI IDCHEBI:216693
ChEBI Name(1aS,3R,4R,4aR,6S,7R,8aS)-7-Chloro-3,6-dihydroxy-3,4a,8,8-tetramethyl-octahydro-1aH-naphtho[1-b]oxirene-4-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H23ClO5
Net Charge0
Average Mass318.797
Monoisotopic Mass318.12340
SMILESCC1(C)[C@@H](Cl)[C@@H](O)C[C@]2(C)[C@@H](C(=O)O)[C@](C)(O)C[C@@H]3O[C@]312
InChIInChI=1S/C15H23ClO5/c1-12(2)10(16)7(17)5-13(3)9(11(18)19)14(4,20)6-8-15(12,13)21-8/h7-10,17,20H,5-6H2,1-4H3,(H,18,19)/t7-,8-,9+,10-,13+,14+,15+/m0/s1
InChIKeyQUHIFZVMNSLMAB-ZEBSVQATSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - DOI (10.1002/ejoc.200500471)
ChEBI Ontology
Outgoing Relation(s)
(1aS,3R,4R,4aR,6S,7R,8aS)-7-Chloro-3,6-dihydroxy-3,4a,8,8-tetramethyl-octahydro-1aH-naphtho[1-b]oxirene-4-carboxylic acid (CHEBI:216693) is a apo carotenoid sesquiterpenoid (CHEBI:36758)
IUPAC Name 
(1aS,3R,4R,4aR,6S,7R,8aS)-7-chloro-3,6-dihydroxy-3,4a,8,8-tetramethyl-1a,2,4,5,6,7-hexahydronaphtho[4,4a-b]oxirene-4-carboxylic acid
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9863033ChemSpider