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CHEBI:214035 - Methoxylaricinolic acid

ChEBI IDCHEBI:214035
ChEBI NameMethoxylaricinolic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O4
Net Charge0
Average Mass282.380
Monoisotopic Mass282.18311
SMILESCOC[C@@H]1C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C(=O)O
InChIInChI=1S/C16H26O4/c1-15(2)6-5-7-16(3)12(15)8-11(17)10(9-20-4)13(16)14(18)19/h10,12-13H,5-9H2,1-4H3,(H,18,19)/t10-,12+,13-,16+/m1/s1
InChIKeyCLFUOPUPHRWXRO-HBCZOZSTSA-N
Species of MetaboliteComponentSourceComments
Stereum ostrea (ncbitaxon:103387) - PubMed (17025020)
ChEBI Ontology
Outgoing Relation(s)
Methoxylaricinolic acid (CHEBI:214035) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
(1S,2R,4aS,8aS)-2-(methoxymethyl)-5,5,8a-trimethyl-3-oxo-2,4,4a,6,7,8-hexahydro-1H-naphthalene-1-carboxylic acid
Manual XrefsDatabases
17239395ChemSpider