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CHEBI:216596 - Thomimarine D

ChEBI IDCHEBI:216596
ChEBI NameThomimarine D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26O3
Net Charge0
Average Mass254.370
Monoisotopic Mass254.18819
SMILESCC1=C2C[C@@H](C(CO)CO)CCC2C(CO)CC1
InChIInChI=1S/C15H26O3/c1-10-2-3-12(7-16)14-5-4-11(6-15(10)14)13(8-17)9-18/h11-14,16-18H,2-9H2,1H3/t11-,12?,14?/m0/s1
InChIKeyQKNHVGOUETXLQW-DCBWTQNWSA-N
Species of MetaboliteComponentSourceComments
Penicillium thomii (ncbitaxon:36647) - DOI (10.1016/j.phytol.2015.10.011)
ChEBI Ontology
Outgoing Relation(s)
Thomimarine D (CHEBI:216596) is a eudesmane sesquiterpenoid (CHEBI:62508)
IUPAC Name 
2-[(2S)-5-(hydroxymethyl)-8-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl]propane-1,3-diol
Manual XrefsDatabases
78442242ChemSpider