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CHEBI:207106 - (12S)-11a,14a-epoxy-13a,14b,15-trihydroxycyath-3-ene

ChEBI IDCHEBI:207106
ChEBI Name(12S)-11a,14a-epoxy-13a,14b,15-trihydroxycyath-3-ene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILESCC(C)C1=C2[C@H]3C[C@H]4O[C@](O)([C@H](O)[C@H]4CO)[C@]3(C)CC[C@@]2(C)CC1
InChIInChI=1S/C20H32O4/c1-11(2)12-5-6-18(3)7-8-19(4)14(16(12)18)9-15-13(10-21)17(22)20(19,23)24-15/h11,13-15,17,21-23H,5-10H2,1-4H3/t13-,14+,15+,17+,18+,19+,20+/m0/s1
InChIKeyIQCGVKTZKMKJLD-COGHNSAZSA-N
Species of MetaboliteComponentSourceComments
Strobilurus tenacellus (ncbitaxon:41251) - PubMed (18816532)
ChEBI Ontology
Outgoing Relation(s)
(12S)-11a,14a-epoxy-13a,14b,15-trihydroxycyath-3-ene (CHEBI:207106) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,2R,5R,10R,12R,13R,14R)-13-(hydroxymethyl)-2,5-dimethyl-8-propan-2-yl-15-oxatetracyclo[10.2.1.02,10.05,9]pentadec-8-ene-1,14-diol
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78437326ChemSpider