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(Q104916273)
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English
3-[4-(3,7-Dimethylocta-2,6-dienoxy)-3,5-dimethoxyphenyl]prop-2-enyl octadeca-9,12-dienoate
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
2,6-dimethyloctane monoterpenoid
0 references
mass
608.44407502
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₉H₆₀O₅
0 references
canonical SMILES
O=C(OCC=CC=1C=C(OC)C(OCC=C(C)CCC=C(C)C)=C(OC)C1)CCCCCCCC=CCC=CCCCCC
0 references
found in taxon
Ligularia nelumbifolia
1 reference
stated in
Sinapyl alcohol derivatives and other constituents from Ligularia nelumbifolia
Identifiers
InChI
InChI=1S/C39H60O5/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-38(40)43-29-23-26-35-31-36(41-5)39(37(32-35)42-6)44-30-28-34(4)25-22-24-33(2)3/h11-12,14-15,23-24,26,28,31-32H,7-10,13,16-22,25,27,29-30H2,1-6H3
0 references
InChIKey
APGVHKPCMRXAPJ-UHFFFAOYSA-N
0 references
PubChem CID
162916143
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
APGVHKPCMRXAPJ-UHFFFAOYSA-N
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