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(Q77521243)
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English
(Z)-3-hydroxy-5-methoxy-2,6-dimethyl-7-(2-methylthiazol-4-yl)hept-6-enoic acid
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
3-Hydroxy-5-methoxy-2,6-dimethyl-7-(2-methyl-1,3-thiazol-4-yl)hept-6-enoic acid
1 reference
based on heuristic
inferred from SMILES
mass
299.119129152
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₂₁NO₄S
0 references
canonical SMILES
O=C(O)C(C)C(O)CC(OC)C(=CC=1N=C(SC1)C)C
0 references
isomeric SMILES
COC(CC(O)C(C)C(=O)O)/C(C)=C/c1csc(C)n1
1 reference
based on heuristic
inferred from InChI
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/C14H21NO4S/c1-8(5-11-7-20-10(3)15-11)13(19-4)6-12(16)9(2)14(17)18/h5,7,9,12-13,16H,6H2,1-4H3,(H,17,18)/b8-5+
0 references
InChIKey
QKYGZBTYBVYKRC-VMPITWQZSA-N
2 references
stated in
PubChem
PubChem CID
139587088
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139587088
language of work or name
English
PubChem CID
139587088
2 references
stated in
PubChem
PubChem CID
139587088
language of work or name
English
matched by identifier from
InChIKey
InChIKey
QKYGZBTYBVYKRC-VMPITWQZSA-N
ChEBI ID
211605
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C14H21NO4S/c1-8(5-11-7-20-10(3)15-11)13(19-4)6-12(16)9(2)14(17)18/h5,7,9,12-13,16H,6H2,1-4H3,(H,17,18)/b8-5+
UniChem compound ID
170910269
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA014385
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QKYGZBTYBVYKRC-VMPITWQZSA-N
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