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CHEBI:199081 - Velutinal lactarinic acid ester

ChEBI IDCHEBI:199081
ChEBI NameVelutinal lactarinic acid ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H54O5
Net Charge0
Average Mass530.790
Monoisotopic Mass530.39712
SMILESCCCCCCCCCCCCC(=O)CCCCC(=O)O[C@H]1OC[C@]23O[C@H]2[C@@H]2CC(C)(C)C[C@@H]2[C@@]2(C)C[C@@]132
InChIInChI=1S/C33H54O5/c1-5-6-7-8-9-10-11-12-13-14-17-24(34)18-15-16-19-27(35)37-29-32-22-31(32,4)26-21-30(2,3)20-25(26)28-33(32,38-28)23-36-29/h25-26,28-29H,5-23H2,1-4H3/t25-,26+,28+,29-,31-,32+,33+/m1/s1
InChIKeyLQLFHXZIYQNUFS-IFKPCQQLSA-N
Species of MetaboliteComponentSourceComments
Lactarius chrysorrheus (ncbitaxon:111135) - DOI (10.1016/s0040-4039(00)81670-6)
ChEBI Ontology
Outgoing Relation(s)
Velutinal lactarinic acid ester (CHEBI:199081) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1S,3S,4R,8S,9R,11S,12R)-6,6,9-trimethyl-2,13-dioxapentacyclo[9.3.0.01,3.04,8.09,11]tetradecan-12-yl] 6-oxooctadecanoate
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78442471ChemSpider