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Columbamide B
group of stereoisomers with the chemical formula C₂₃H₄₀Cl₃NO₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
499.2022918
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₄₀Cl₃NO₄
0 references
canonical SMILES
O=C(OCC(N(C(=O)CCC=CCCCCC(Cl)CCCCCC(Cl)Cl)C)COC)C
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isomeric SMILES
COC[C@@H](COC(C)=O)N(C)C(=O)CC/C=C/CCCCC(Cl)CCCCCC(Cl)Cl
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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/C23H40Cl3NO4/c1-19(28)31-18-21(17-30-3)27(2)23(29)16-12-7-5-4-6-9-13-20(24)14-10-8-11-15-22(25)26/h5,7,20-22H,4,6,8-18H2,1-3H3/b7-5+/t20?,21-/m0/s1
0 references
InChIKey
JBEYLLUXESVNSE-QOZDHKFNSA-N
0 references
PubChem CID
122183470
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
JBEYLLUXESVNSE-QOZDHKFNSA-N
ChEBI ID
212690
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C23H40Cl3NO4/c1-19(28)31-18-21(17-30-3)27(2)23(29)16-12-7-5-4-6-9-13-20(24)14-10-8-11-15-22(25)26/h5,7,20-22H,4,6,8-18H2,1-3H3/b7-5+/t20?,21-/m0/s1
UniChem compound ID
147974017
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID201335541
1 reference
matched by identifier from
InChIKey
InChIKey
JBEYLLUXESVNSE-QOZDHKFNSA-N
Natural Product Atlas ID
NPA027273
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JBEYLLUXESVNSE-QOZDHKFNSA-N
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