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(Q105213481)
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English
(E,9S)-9-hydroxy-9-[(2R,3S)-3-(hydroxymethyl)oxiran-2-yl]non-7-en-4-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(9S)-9-Hydroxy-9-[3-(hydroxymethyl)oxiranyl]-7-nonene-4-one
1 reference
based on heuristic
inferred from SMILES
9-Hydroxy-9-[3-(hydroxymethyl)oxiran-2-yl]non-7-en-4-one
1 reference
based on heuristic
inferred from SMILES
mass
228.13615912
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(E,9S)-9-hydroxy-9-[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]non-7-en-4-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₂₀O₄
0 references
canonical SMILES
O=C(CCC=CC(O)C1OC1CO)CCC
0 references
isomeric SMILES
CCCC(=O)CC/C=C/[C@H](O)[C@H]1O[C@H]1CO
0 references
found in taxon
Menisporopsis theobromae
1 reference
stated in
Bioactive compounds from the seed fungus Menisporopsis theobromae BCC 3975.
Identifiers
InChI
InChI=1S/C12H20O4/c1-2-5-9(14)6-3-4-7-10(15)12-11(8-13)16-12/h4,7,10-13,15H,2-3,5-6,8H2,1H3/b7-4+/t10-,11-,12+/m0/s1
0 references
InChIKey
PQVKXVOYEJFIAJ-FUCRVBAHSA-N
0 references
PubChem CID
16091535
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
PQVKXVOYEJFIAJ-FUCRVBAHSA-N
UniChem compound ID
33479817
1 reference
stated in
UniChem
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