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(Q77573816)
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English
Credneramide A
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
phenethylamine alkaloid
0 references
mass
319.170292132
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₆ClNO
0 references
canonical SMILES
CCCC(=CCl)CC=CCCC(=O)NCCc1ccccc1
0 references
isomeric SMILES
CCC/C(=C\Cl)/C/C=C/CCC(=O)NCCC1=CC=CC=C1
0 references
found in taxon
Trichodesmium
1 reference
stated in
Credneramides A and B: neuromodulatory phenethylamine and isopentylamine derivatives of a vinyl chloride-containing fatty acid from cf. Trichodesmium sp. nov.
Identifiers
InChI
InChI=1S/C19H26ClNO/c1-2-9-18(16-20)12-7-4-8-13-19(22)21-15-14-17-10-5-3-6-11-17/h3-7,10-11,16H,2,8-9,12-15H2,1H3,(H,21,22)/b7-4+,18-16+
0 references
InChIKey
OJYMBSRQFFWVDQ-DYLVBWQHSA-N
2 references
stated in
PubChem
PubChem CID
57332910
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
57332910
language of work or name
English
PubChem CID
57332910
2 references
stated in
PubChem
PubChem CID
57332910
language of work or name
English
matched by identifier from
InChIKey
InChIKey
OJYMBSRQFFWVDQ-DYLVBWQHSA-N
ChEBI ID
224343
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H26ClNO/c1-2-9-18(16-20)12-7-4-8-13-19(22)21-15-14-17-10-5-3-6-11-17/h3-7,10-11,16H,2,8-9,12-15H2,1H3,(H,21,22)/b7-4+,18-16+
UniChem compound ID
27220917
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID101047329
1 reference
matched by identifier from
InChIKey
InChIKey
OJYMBSRQFFWVDQ-DYLVBWQHSA-N
Natural Product Atlas ID
NPA016813
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OJYMBSRQFFWVDQ-DYLVBWQHSA-N
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