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CHEBI:221507 - [(1S,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl octadec-9-enoate

ChEBI IDCHEBI:221507
ChEBI Name[(1S,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl octadec-9-enoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H58O2
Net Charge0
Average Mass486.825
Monoisotopic Mass486.44368
SMILESCCCCCCCCC=CCCCCCCCC(=O)OC[C@H]1C(C)=CCC2C(C)(C)CCC[C@@]21C
InChIInChI=1S/C33H58O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31(34)35-27-29-28(2)23-24-30-32(3,4)25-21-26-33(29,30)5/h13-14,23,29-30H,6-12,15-22,24-27H2,1-5H3/t29-,30?,33+/m0/s1
InChIKeyGGIWBIPQHQHJCO-CGAUKSQNSA-N
Species of MetaboliteComponentSourceComments
Lactarius uvidus (ncbitaxon:152949) - PubMed (7964786)
ChEBI Ontology
Outgoing Relation(s)
[(1S,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl octadec-9-enoate (CHEBI:221507) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(1S,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl octadec-9-enoate