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CHEBI:208551 - Stearyl-velutinal

ChEBI IDCHEBI:208551
ChEBI NameStearyl-velutinal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H56O4
Net Charge0
Average Mass516.807
Monoisotopic Mass516.41786
SMILESCCCCCCCCCCCCCCCCCC(=O)O[C@@H]1OCC23O[C@@H]2[C@H]2CC(C)(C)C[C@H]2[C@]2(C)CC132
InChIInChI=1S/C33H56O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(34)36-29-32-23-31(32,4)26-22-30(2,3)21-25(26)28-33(32,37-28)24-35-29/h25-26,28-29H,5-24H2,1-4H3/t25-,26+,28+,29-,31-,32?,33?/m0/s1
InChIKeyVRKPUGRREPONNX-MHQIOABUSA-N
Species of MetaboliteComponentSourceComments
Lactarius (ncbitaxon:34444) - DOI (10.1016/s0040-4039(00)87218-4)
ChEBI Ontology
Outgoing Relation(s)
Stearyl-velutinal (CHEBI:208551) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(3R,4S,8R,9S,12S)-6,6,9-trimethyl-2,13-dioxapentacyclo[9.3.0.01,3.04,8.09,11]tetradecan-12-yl] octadecanoate
Manual XrefsDatabases
78437921ChemSpider