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(Q105134433)
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English
(4S,8Z,11S,12E)-11-hydroxy-4,12-dimethyl-13-(2-methyl-1,3-thiazol-4-yl)trideca-8,12-dien-3-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
11-Hydroxy-4,12-dimethyl-13-(2-methyl-1,3-thiazol-4-yl)trideca-8,12-dien-3-one
1 reference
based on heuristic
inferred from SMILES
mass
335.191900168
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₉NO₂S
0 references
canonical SMILES
O=C(CC)C(C)CCCC=CCC(O)C(=CC=1N=C(SC1)C)C
0 references
isomeric SMILES
CCC(=O)[C@@H](C)CCC/C=C\C[C@H](O)/C(C)=C/c1csc(C)n1
0 references
found in taxon
Sorangium cellulosum
1 reference
stated in
New natural epothilones from Sorangium cellulosum, strains So ce90/B2 and So ce90/D13: isolation, structure elucidation, and SAR studies
Identifiers
InChI
InChI=1S/C19H29NO2S/c1-5-18(21)14(2)10-8-6-7-9-11-19(22)15(3)12-17-13-23-16(4)20-17/h7,9,12-14,19,22H,5-6,8,10-11H2,1-4H3/b9-7-,15-12+/t14-,19-/m0/s1
0 references
InChIKey
JSKPINUBZQXMGD-HKTQOPCXSA-N
0 references
PubChem CID
11121220
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JSKPINUBZQXMGD-HKTQOPCXSA-N
UniChem compound ID
33656629
1 reference
stated in
UniChem
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