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(Q75058985)
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BZR-cotoxin I
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic cyclopeptide
0 references
mass
967.62053578
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₈H₈₅N₇O₁₃
0 references
canonical SMILES
CCC(C)C1C(=O)N(C)C(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(CO)C(=O)OC(C(C)C)C(=O)N(C)C(C)C(=O)OC(C(C)C)C(=O)N(C)C(C(C)O)C(=O)NC(CC(C)C)C(=O)N1C
0 references
found in taxon
Bipolaris zeicola
2 references
stated in
Structure of BZR-cotoxin I produced by Bipolaris zeicola race 3, the cause of leaf spot disease in corn
stated in
Isolation and structure of BZR-cotoxin IV produced by bipolaris zeicola race 3, the cause of leaf spot disease in corn
Identifiers
InChI
InChI=1S/C48H85N7O13/c1-20-29(12)36-44(62)53(17)35(26(6)7)43(61)52(16)34(22-25(4)5)40(58)50-33(23-56)48(66)68-38(27(8)9)45(63)51(15)30(13)47(65)67-39(28(10)11)46(64)55(19)37(31(14)57)41(59)49-32(21-24(2)3)42(60)54(36)18/h24-39,56-57H,20-23H2,1-19H3,(H,49,59)(H,50,58)
0 references
InChIKey
NZTGVGORBGCOFL-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
178562
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
178562
language of work or name
English
CAS Registry Number
140715-94-2
0 references
PubChem CID
178562
2 references
stated in
PubChem
PubChem CID
178562
language of work or name
English
matched by identifier from
InChIKey
InChIKey
NZTGVGORBGCOFL-UHFFFAOYSA-N
ChEBI ID
198246
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C48H85N7O13/c1-20-29(12)36-44(62)53(17)35(26(6)7)43(61)52(16)34(22-25(4)5)40(58)50-33(23-56)48(66)68-38(27(8)9)45(63)51(15)30(13)47(65)67-39(28(10)11)46(64)55(19)37(31(14)57)41(59)49-32(21-24(2)3)42(60)54(36)18/h24-39,56-57H,20-23H2,1-19H3,(H,49,59)(H,50,58)
UniChem compound ID
52386019
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90930908
1 reference
matched by identifier from
InChIKey
InChIKey
NZTGVGORBGCOFL-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID601359628
0 references
Natural Product Atlas ID
NPA000814
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NZTGVGORBGCOFL-UHFFFAOYSA-N
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