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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
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
ChEBI ID CHEBI:199800
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H58O4
Net Charge 0
Average Mass 518.823
Monoisotopic Mass 518.43351
InChI InChI=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
InChIKey MGTBMHYVDCTXJO-JUAIBCHFSA-N
SMILES O=C1C2[C@@]([C@@H](COC(=O)CCCCCCCCCCCCCCCCC)[C@@]3([C@H]1O3)C)(CCCC2(C)C)C
Metabolite of Species Details
Lactarius uvidus (NCBI:txid152949) See: PubMed
ChEBI Ontology
Outgoing [(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