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CHEBI:199918 - Roubetaoellol A

ChEBI IDCHEBI:199918
ChEBI NameRoubetaoellol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILESCC(C)C1=C2C/C=C3/CO[C@]4(O)C[C@H](C)[C@H](C[C@@]2(C)C[C@@H]1O)[C@H]34
InChIInChI=1S/C20H30O3/c1-11(2)17-15-6-5-13-10-23-20(22)7-12(3)14(18(13)20)8-19(15,4)9-16(17)21/h5,11-12,14,16,18,21-22H,6-10H2,1-4H3/b13-5-/t12-,14-,16-,18-,19-,20+/m0/s1
InChIKeyRKLYWUQMYTUNBI-LZBUXXAVSA-N
Species of MetaboliteComponentSourceComments
Roussoella (ncbitaxon:63193) - PubMed (23692046)
ChEBI Ontology
Outgoing Relation(s)
Roubetaoellol A (CHEBI:199918) is a oxolanes (CHEBI:26912)
IUPAC Name 
(1S,3S,5S,9E,13R,15S,16R)-3,15-dimethyl-6-propan-2-yl-12-oxatetracyclo[8.5.1.03,7.013,16]hexadeca-6,9-diene-5,13-diol
Manual XrefsDatabases
29784794ChemSpider