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(Q104202973)
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Columbamide C
group of stereoisomers with the chemical formula C₂₁H₃₉Cl₂NO₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
423.230699468
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₉Cl₂NO₃
0 references
canonical SMILES
O=C(N(C)C(CO)COC)CCC=CCCCCC(Cl)CCCCCCCl
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isomeric SMILES
COC[C@@H](CO)N(C)C(=O)CC/C=C/CCCCC(Cl)CCCCCCCl
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found in taxon
Moorea bouillonii
1 reference
stated in
Combining Mass Spectrometric Metabolic Profiling with Genomic Analysis: A Powerful Approach for Discovering Natural Products from Cyanobacteria
Identifiers
InChI
InChI=1S/C21H39Cl2NO3/c1-24(20(17-25)18-27-2)21(26)15-11-6-4-3-5-9-13-19(23)14-10-7-8-12-16-22/h4,6,19-20,25H,3,5,7-18H2,1-2H3/b6-4+/t19?,20-/m1/s1
0 references
InChIKey
HFTYBOHUADLAJY-KRTLOWCSSA-N
0 references
PubChem CID
145740399
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
HFTYBOHUADLAJY-KRTLOWCSSA-N
ChEBI ID
212696
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H39Cl2NO3/c1-24(20(17-25)18-27-2)21(26)15-11-6-4-3-5-9-13-19(23)14-10-7-8-12-16-22/h4,6,19-20,25H,3,5,7-18H2,1-2H3/b6-4+/t19?,20-/m1/s1
UniChem compound ID
177071761
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID701335172
1 reference
matched by identifier from
InChIKey
InChIKey
HFTYBOHUADLAJY-KRTLOWCSSA-N
Natural Product Atlas ID
NPA027274
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HFTYBOHUADLAJY-KRTLOWCSSA-N
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