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(Q110179505)
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English
(4S,11S,12E)-11-hydroxy-4,8-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
chemical compound
0 references
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)CCCC(C)=CC[C@H](O)/C=C/c1csc(C)n1
0 references
found in taxon
Sorangium
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/c1-5-19(22)15(3)8-6-7-14(2)9-11-18(21)12-10-17-13-23-16(4)20-17/h9-10,12-13,15,18,21H,5-8,11H2,1-4H3/b12-10+,14-9?/t15-,18-/m0/s1
0 references
InChIKey
BSUTWIMCWXXFTI-MIFTZOPASA-N
0 references
PubChem CID
162819047
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BSUTWIMCWXXFTI-MIFTZOPASA-N
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