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(Q75059851)
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Ambiguine K isonitrile
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
13-chloro-12-ethenyl-11-isocyano-8,8,12,19,19-pentamethyl-6-azapentacyclo[13.3.1.0⁵,¹⁸.0⁷,¹⁷.0¹¹,¹⁶]nonadeca-1(18),2,4,7(17),9-pentaen-16-ol
1 reference
based on heuristic
inferred from SMILES
mass
420.196841228
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₆H₂₉ClN₂O
0 references
canonical SMILES
[C-]#[N+]C12C=CC(C=3NC4=CC=CC5=C4C3C2(O)C(CC(Cl)C1(C=C)C)C5(C)C)(C)C
0 references
isomeric SMILES
[C-]#[N+][C@]12C=CC(C)(C)c3[nH]c4cccc5c4c3[C@]1(O)[C@H](C[C@@H](Cl)[C@]2(C)C=C)C5(C)C
0 references
found in taxon
Fischerella ambigua
1 reference
stated in
Antimicrobial ambiguine isonitriles from the cyanobacterium Fischerella ambigua
Identifiers
InChI
InChI=1S/C26H29ClN2O/c1-8-24(6)18(27)14-17-23(4,5)15-10-9-11-16-19(15)20-21(29-16)22(2,3)12-13-25(24,28-7)26(17,20)30/h8-13,17-18,29-30H,1,14H2,2-6H3/t17-,18-,24+,25+,26-/m1/s1
0 references
InChIKey
RSUTYZFOFIAHFY-OWINPNOJSA-N
2 references
stated in
PubChem
PubChem CID
44139368
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
44139368
language of work or name
English
PubChem CID
44139368
2 references
stated in
PubChem
PubChem CID
44139368
language of work or name
English
matched by identifier from
InChIKey
InChIKey
RSUTYZFOFIAHFY-OWINPNOJSA-N
ChEBI ID
198461
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C26H29ClN2O/c1-8-24(6)18(27)14-17-23(4,5)15-10-9-11-16-19(15)20-21(29-16)22(2,3)12-13-25(24,28-7)26(17,20)30/h8-13,17-18,29-30H,1,14H2,2-6H3/t17-,18-,24+,25+,26-/m1/s1
UniChem compound ID
633979
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID701334005
1 reference
matched by identifier from
InChIKey
InChIKey
RSUTYZFOFIAHFY-OWINPNOJSA-N
Natural Product Atlas ID
NPA001055
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RSUTYZFOFIAHFY-OWINPNOJSA-N
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