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CHEBI:202356 - Linoleoyl velutinal

ChEBI IDCHEBI:202356
ChEBI NameLinoleoyl velutinal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H52O4
Net Charge0
Average Mass512.775
Monoisotopic Mass512.38656
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=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/C33H52O4/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/h9-10,12-13,25-26,28-29H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-/t25-,26+,28+,29-,31-,32+,33+/m1/s1
InChIKeySOPGVYOJFKVLPY-DPWBUDGNSA-N
Species of MetaboliteComponentSourceComments
Russula cuprea (ncbitaxon:176790) - DOI (10.1016/s0031-9422(97)00259-8)
ChEBI Ontology
Outgoing Relation(s)
Linoleoyl velutinal (CHEBI:202356) 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] (9Z,12Z)-octadeca-9,12-dienoate
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78436856ChemSpider