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CHEBI:204993 - 3-epi-phomadecalin D

ChEBI IDCHEBI:204993
ChEBI Name3-epi-phomadecalin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O4
Net Charge0
Average Mass264.321
Monoisotopic Mass264.13616
SMILESC=C(CO)[C@@]12O[C@@H]1[C@@]1(C)C(=C[C@@H]2O)C=C[C@H](O)[C@@H]1C
InChIInChI=1S/C15H20O4/c1-8(7-16)15-12(18)6-10-4-5-11(17)9(2)14(10,3)13(15)19-15/h4-6,9,11-13,16-18H,1,7H2,2-3H3/t9-,11-,12-,13+,14+,15-/m0/s1
InChIKeyLLKUBNIUIWQJBY-DVWJDDTRSA-N
Species of MetaboliteComponentSourceComments
Microdiplodia (ncbitaxon:371130) - DOI (10.1016/j.phytol.2015.10.004)
ChEBI Ontology
Outgoing Relation(s)
3-epi-phomadecalin D (CHEBI:204993) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1aS,2S,6S,7R,7aR,7bR)-1a-(3-hydroxyprop-1-en-2-yl)-7,7a-dimethyl-2,6,7,7b-tetrahydronaphtho[1,2-b]oxirene-2,6-diol
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78442025ChemSpider