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CHEBI:205680 - (1R,3R,5R,6S,9S,10R)-5-ethenyl-3,9,10-trihydroxy-6-methoxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-2(7)-en-8-one

ChEBI IDCHEBI:205680
ChEBI Name(1R,3R,5R,6S,9S,10R)-5-ethenyl-3,9,10-trihydroxy-6-methoxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-2(7)-en-8-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O6
Net Charge0
Average Mass378.465
Monoisotopic Mass378.20424
SMILESC=C[C@@]1(C)C[C@@H](O)C2=C(C(=O)[C@@]3(O)OC[C@@]24CCCC(C)(C)[C@@]43O)[C@H]1OC
InChIInChI=1S/C21H30O6/c1-6-18(4)10-12(22)14-13(16(18)26-5)15(23)20(24)21(25)17(2,3)8-7-9-19(14,21)11-27-20/h6,12,16,22,24-25H,1,7-11H2,2-5H3/t12-,16-,18+,19+,20-,21-/m1/s1
InChIKeyVCNLMXIMSMCNMZ-DFILUXEFSA-N
Species of MetaboliteComponentSourceComments
Epicoccumspecies HS-1 (ncbitaxon:1030275) - PubMed (25738327)
ChEBI Ontology
Outgoing Relation(s)
(1R,3R,5R,6S,9S,10R)-5-ethenyl-3,9,10-trihydroxy-6-methoxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-2(7)-en-8-one (CHEBI:205680) is a hydroxy steroid (CHEBI:35350)
IUPAC Name 
(1R,3R,5R,6S,9S,10R)-5-ethenyl-3,9,10-trihydroxy-6-methoxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-2(7)-en-8-one
Manual XrefsDatabases
35516821ChemSpider