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(Q104913708)
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English
(2R,3S)-2,3-dihydroxy-2-(3-methylbutyl)butanedioic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
fatty acid
0 references
mass
220.094688232
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₁₆O₆
0 references
canonical SMILES
O=C(O)C(O)C(O)(C(=O)O)CCC(C)C
0 references
isomeric SMILES
CC(C)CC[C@](O)(C(=O)O)[C@H](O)C(=O)O
0 references
found in taxon
Cephalotaxus harringtonii var. harringtonii
1 reference
stated in
Alkaloids from Cephalotaxus harringtonia
Cephalotaxus harringtonia
1 reference
stated in
Alkaloids from Cephalotaxus harringtonia
Cephalotaxus harringtonii
1 reference
stated in
Alkaloids from Cephalotaxus harringtonia
Identifiers
InChI
InChI=1S/C9H16O6/c1-5(2)3-4-9(15,8(13)14)6(10)7(11)12/h5-6,10,15H,3-4H2,1-2H3,(H,11,12)(H,13,14)/t6-,9-/m1/s1
0 references
InChIKey
AKLHYVMLOPQIDT-HZGVNTEJSA-N
0 references
PubChem CID
14502856
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AKLHYVMLOPQIDT-HZGVNTEJSA-N
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