CHEBI:206043 - 4-<(3R,4S)-3-hydroxy-3,7-dimethylocta-1,6-dienyl> (Z)-9-octadecenoate

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ChEBI Name 4-<(3R,4S)-3-hydroxy-3,7-dimethylocta-1,6-dienyl> (Z)-9-octadecenoate
ChEBI ID CHEBI:206043
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H50O3
Net Charge 0
Average Mass 434.705
Monoisotopic Mass 434.37600
InChI InChI=1S/C28H50O3/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(29)31-26(24-23-25(3)4)28(5,30)7-2/h7,14-15,23,26,30H,2,6,8-13,16-22,24H2,1,3-5H3/b15-14-/t26-,28+/m0/s1
InChIKey JJTYTBCWZXNSDI-ZSETUDKCSA-N
SMILES O=C(O[C@H]([C@](O)(C=C)C)CC=C(C)C)CCCCCCC/C=C\CCCCCCCC
Metabolite of Species Details
Dictyophora indusiata (NCBI:txid146777) See: DOI
ChEBI Ontology
Outgoing 4-<(3R,4S)-3-hydroxy-3,7-dimethylocta-1,6-dienyl> (Z)-9-octadecenoate (CHEBI:206043) is a monoterpenoid (CHEBI:25409)
IUPAC Name
[(3R,4S)-3-hydroxy-3,7-dimethylocta-1,6-dien-4-yl] (Z)-octadec-9-enoate
Manual Xref Database
78437308 ChemSpider
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