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English
Kimbelactone A
group of stereoisomers with the chemical formula C₁₉H₂₅ClO₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
336.14922234
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₅ClO₃
0 references
canonical SMILES
O=C1OC(CC(OC)=C1)CCC=CC=CC(C=CC(=CCl)C)C
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isomeric SMILES
COC1=CC(=O)OC(CC/C=C/C=C\C(C)/C=C/C(C)=C/Cl)C1
1 reference
based on heuristic
inferred from InChI
found in taxon
Symploca
1 reference
stated in
Biosynthetically intriguing chlorinated lipophilic metabolites from geographically distant tropical marine cyanobacteria
Identifiers
InChI
InChI=1S/C19H25ClO3/c1-15(10-11-16(2)14-20)8-6-4-5-7-9-17-12-18(22-3)13-19(21)23-17/h4-6,8,10-11,13-15,17H,7,9,12H2,1-3H3/b5-4+,8-6-,11-10+,16-14+
0 references
InChIKey
FFQPDMLQLMDNCB-OOYZWKPBSA-N
0 references
PubChem CID
57415163
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
FFQPDMLQLMDNCB-OOYZWKPBSA-N
ChEBI ID
213018
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H25ClO3/c1-15(10-11-16(2)14-20)8-6-4-5-7-9-17-12-18(22-3)13-19(21)23-17/h4-6,8,10-11,13-15,17H,7,9,12H2,1-3H3/b5-4+,8-6-,11-10+,16-14+
UniChem compound ID
33550648
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID601047293
1 reference
matched by identifier from
InChIKey
InChIKey
FFQPDMLQLMDNCB-OOYZWKPBSA-N
Natural Product Atlas ID
NPA027333
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FFQPDMLQLMDNCB-OOYZWKPBSA-N
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