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(Q105243998)
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English
(2E,3S,4S)-2-[(E)-but-2-enylidene]pentane-1,3,4-triol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-(but-2-en-1-ylidene)pentane-1,3,4-triol
1 reference
based on heuristic
inferred from SMILES
mass
172.109944372
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₁₆O₃
0 references
canonical SMILES
OCC(=CC=CC)C(O)C(O)C
0 references
isomeric SMILES
C/C=C/C=C(\CO)[C@H](O)[C@H](C)O
0 references
found in taxon
Aspergillus ochraceus
1 reference
stated in
Secondary Metabolites by Chemical Screening, 34. – Aspinolides and Aspinonene/Aspyrone Co-Metabolites, New Pentaketides Produced byAspergillus ochraceus
Identifiers
InChI
InChI=1S/C9H16O3/c1-3-4-5-8(6-10)9(12)7(2)11/h3-5,7,9-12H,6H2,1-2H3/b4-3+,8-5+/t7-,9+/m0/s1
0 references
InChIKey
RRFNHQIEVWBAEI-UUIPIBPQSA-N
0 references
PubChem CID
163046842
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RRFNHQIEVWBAEI-UUIPIBPQSA-N
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