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Trichothiazole A
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
thiazole alkaloid
0 references
mass
341.077176032
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₁Cl₂NS
0 references
canonical SMILES
ClC=CCC(=CCl)CCC=1N=C(SC1)CCCCCC#C
0 references
isomeric SMILES
C#CCCCCCc1nc(CC/C(=C\Cl)C/C=C/Cl)cs1
1 reference
based on heuristic
inferred from InChI
found in taxon
Trichodesmium
1 reference
stated in
Trichothiazole A, a dichlorinated polyketide containing an embedded thiazole isolated from Trichodesmium blooms
Identifiers
InChI
InChI=1S/C17H21Cl2NS/c1-2-3-4-5-6-9-17-20-16(14-21-17)11-10-15(13-19)8-7-12-18/h1,7,12-14H,3-6,8-11H2/b12-7+,15-13-
0 references
InChIKey
RRELOQVRCVAZDA-HMHGSNSKSA-N
0 references
PubChem CID
139591222
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RRELOQVRCVAZDA-HMHGSNSKSA-N
ChEBI ID
217747
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H21Cl2NS/c1-2-3-4-5-6-9-17-20-16(14-21-17)11-10-15(13-19)8-7-12-18/h1,7,12-14H,3-6,8-11H2/b12-7+,15-13-
UniChem compound ID
170914154
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID601334002
1 reference
matched by identifier from
InChIKey
InChIKey
RRELOQVRCVAZDA-HMHGSNSKSA-N
Natural Product Atlas ID
NPA024055
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RRELOQVRCVAZDA-HMHGSNSKSA-N
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