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CHEBI:209846 - Mabetaarinolin B

ChEBI IDCHEBI:209846
ChEBI NameMabetaarinolin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O4
Net Charge0
Average Mass266.337
Monoisotopic Mass266.15181
SMILESC/C(=C\[C@@H](O)C[C@]12CO[C@]3(C)CC[C@H]1C[C@H]23)C(=O)O
InChIInChI=1S/C15H22O4/c1-9(13(17)18)5-11(16)7-15-8-19-14(2)4-3-10(15)6-12(14)15/h5,10-12,16H,3-4,6-8H2,1-2H3,(H,17,18)/b9-5+/t10-,11+,12-,14+,15-/m0/s1
InChIKeyGWNSZLIEAQMRLS-SUAOZZTGSA-N
Species of MetaboliteComponentSourceComments
Massarina (ncbitaxon:45292) - PubMed (10096869)
ChEBI Ontology
Outgoing Relation(s)
Mabetaarinolin B (CHEBI:209846) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(E,4S)-4-hydroxy-2-methyl-5-[(1R,3S,6R,9S)-6-methyl-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]pent-2-enoic acid
Manual XrefsDatabases
8715087ChemSpider