CHEBI:202356 - Linoleoyl velutinal

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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 Linoleoyl velutinal
ChEBI ID CHEBI:202356
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H52O4
Net Charge 0
Average Mass 512.775
Monoisotopic Mass 512.38656
InChI InChI=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
InChIKey SOPGVYOJFKVLPY-DPWBUDGNSA-N
SMILES O=C(O[C@H]1OC[C@@]23[C@]14[C@]([C@H]5CC(C)(C)C[C@H]5[C@@H]2O3)(C)C4)CCCCCCC/C=C\C/C=C\CCCCC
Metabolite of Species Details
Russula cuprea (NCBI:txid176790) See: DOI
ChEBI Ontology
Outgoing 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
Manual Xref Database
78436856 ChemSpider
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