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CHEBI:226670 - 1beta,2beta-epoxybrabetaicicene I

ChEBI IDCHEBI:226670
ChEBI Name1beta,2beta-epoxybrabetaicicene I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O4
Net Charge0
Average Mass350.499
Monoisotopic Mass350.24571
SMILESCOC[C@@]1(O)CC[C@H]2[C@@H](C)[C@@H](O)CC3=C(C(C)C)CC[C@]3(C)[C@H]3O[C@@]231
InChIInChI=1S/C21H34O4/c1-12(2)14-6-8-19(4)16(14)10-17(22)13(3)15-7-9-20(23,11-24-5)21(15)18(19)25-21/h12-13,15,17-18,22-23H,6-11H2,1-5H3/t13-,15+,17+,18-,19+,20+,21+/m1/s1
InChIKeyQLULESVPKMAREG-RPFXOQMXSA-N
Species of MetaboliteComponentSourceComments
Alternaria brassicicola (ncbitaxon:29001) - PubMed (32520548)
ChEBI Ontology
Outgoing Relation(s)
1beta,2beta-epoxybrabetaicicene I (CHEBI:226670) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1S,3R,4S,10S,11R,12S,15S)-15-(methoxymethyl)-4,11-dimethyl-7-propan-2-yl-2-oxatetracyclo[10.3.0.01,3.04,8]pentadec-7-ene-10,15-diol