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(Q104947087)
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English
Aeruginosin 670
group of stereoisomers with the chemical formula C₃₀H₄₄Cl₂N₆O₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
piperidine alkaloids
1 reference
inferred from
piperidine alkaloids
mass
670.264853108
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₀H₄₄Cl₂N₆O₇
0 references
canonical SMILES
CC(C)CC(NC(=O)C(O)Cc1cc(Cl)c(O)c(Cl)c1)C(=O)N1C(C(=O)NC2CCCN(C(=N)N)C2O)CC2CCC(O)CC21
0 references
found in taxon
Microcystis
1 reference
stated in
Detection and identification of oligopeptides in Microcystis (cyanobacteria) colonies: toward an understanding of metabolic diversity
Identifiers
InChI
InChI=1S/C30H44Cl2N6O7/c1-14(2)8-21(36-27(43)24(40)11-15-9-18(31)25(41)19(32)10-15)29(45)38-22-13-17(39)6-5-16(22)12-23(38)26(42)35-20-4-3-7-37(28(20)44)30(33)34/h9-10,14,16-17,20-24,28,39-41,44H,3-8,11-13H2,1-2H3,(H3,33,34)(H,35,42)(H,36,43)
0 references
InChIKey
BWARWHZEWXIALB-UHFFFAOYSA-N
0 references
PubChem CID
146684710
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
BWARWHZEWXIALB-UHFFFAOYSA-N
ChEBI ID
220736
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C30H44Cl2N6O7/c1-14(2)8-21(36-27(43)24(40)11-15-9-18(31)25(41)19(32)10-15)29(45)38-22-13-17(39)6-5-16(22)12-23(38)26(42)35-20-4-3-7-37(28(20)44)30(33)34/h9-10,14,16-17,20-24,28,39-41,44H,3-8,11-13H2,1-2H3,(H3,33,34)(H,35,42)(H,36,43)
UniChem compound ID
178088064
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID701046793
1 reference
matched by identifier from
InChIKey
InChIKey
BWARWHZEWXIALB-UHFFFAOYSA-N
Natural Product Atlas ID
NPA028679
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BWARWHZEWXIALB-UHFFFAOYSA-N
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