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(Q105245345)
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English
methyl 2-(1-hydroxy-2-oxopropyl)heptacos-2-enoate
group of stereoisomers with the chemical formula C₃₁H₅₈O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic acyclic ester
1 reference
inferred from
biogenic acyclic ester
fatty alcohol
1 reference
inferred from
fatty alcohol
biogenic acyclic ketone
1 reference
inferred from
biogenic acyclic ketone
mass
494.433510336
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₁H₅₈O₄
0 references
canonical SMILES
O=C(OC)C(=CCCCCCCCCCCCCCCCCCCCCCCCC)C(O)C(=O)C
0 references
Identifiers
InChI
InChI=1S/C31H58O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29(31(34)35-3)30(33)28(2)32/h27,30,33H,4-26H2,1-3H3
0 references
InChIKey
RTQSGVCMOOHGNW-UHFFFAOYSA-N
0 references
PubChem CID
75068995
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RTQSGVCMOOHGNW-UHFFFAOYSA-N
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