EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:199800 - [(1aR,6aR,7S,7aR)-3,3,6a,7a-tetramethyl-2-oxo-1a,2a,4,5,6,7-hexahydronaphtho[2,3-b]oxiren-7-yl]methyl octadecanoate

ChEBI IDCHEBI:199800
ChEBI Name[(1aR,6aR,7S,7aR)-3,3,6a,7a-tetramethyl-2-oxo-1a,2a,4,5,6,7-hexahydronaphtho[2,3-b]oxiren-7-yl]methyl octadecanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H58O4
Net Charge0
Average Mass518.823
Monoisotopic Mass518.43351
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@H]1[C@@]2(C)O[C@H]2C(=O)C2C(C)(C)CCC[C@@]21C
InChIInChI=1S/C33H58O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-27(34)36-25-26-32(4)24-21-23-31(2,3)29(32)28(35)30-33(26,5)37-30/h26,29-30H,6-25H2,1-5H3/t26-,29?,30+,32-,33-/m1/s1
InChIKeyMGTBMHYVDCTXJO-JUAIBCHFSA-N
Species of MetaboliteComponentSourceComments
Lactarius uvidus (ncbitaxon:152949) - PubMed (7964786)
ChEBI Ontology
Outgoing Relation(s)
[(1aR,6aR,7S,7aR)-3,3,6a,7a-tetramethyl-2-oxo-1a,2a,4,5,6,7-hexahydronaphtho[2,3-b]oxiren-7-yl]methyl octadecanoate (CHEBI:199800) is a lipid (CHEBI:18059)
IUPAC Name 
[(1aR,6aR,7S,7aR)-3,3,6a,7a-tetramethyl-2-oxo-1a,2a,4,5,6,7-hexahydronaphtho[2,3-b]oxiren-7-yl]methyl octadecanoate