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CHEBI:197781 - Isocadinanol A

ChEBI IDCHEBI:197781
ChEBI NameIsocadinanol A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26O3
Net Charge0
Average Mass254.370
Monoisotopic Mass254.18819
SMILESCC(C)[C@H]1C[C@@H](O)[C@H](C)[C@@H]2CC[C@@H](O)[C@@]3(C)O[C@@]123
InChIInChI=1S/C15H26O3/c1-8(2)11-7-12(16)9(3)10-5-6-13(17)14(4)15(10,11)18-14/h8-13,16-17H,5-7H2,1-4H3/t9-,10+,11-,12-,13-,14-,15-/m1/s1
InChIKeyKALHVLRQNHIJOX-CVEQBJKISA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (26324074)
ChEBI Ontology
Outgoing Relation(s)
Isocadinanol A (CHEBI:197781) is a p-menthane monoterpenoid (CHEBI:25186)
IUPAC Name 
(1aR,2R,4aS,5R,6R,8R,8aS)-1a,5-dimethyl-8-propan-2-yl-2,3,4,4a,5,6,7,8-octahydronaphtho[1,8a-b]oxirene-2,6-diol
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78443494ChemSpider