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(Q75063497)
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O-thaxtomin A
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
3-hydroxy-3-[(2-hydroxyphenyl)methyl]-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione
1 reference
based on heuristic
inferred from SMILES
mass
438.153934424
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₂N₄O₆
0 references
canonical SMILES
O=C1N(C)C(O)(C(=O)N(C)C1CC2=CNC3=CC=CC(=C32)[N+](=O)[O-])CC=4C=CC=CC4O
0 references
isomeric SMILES
CN1[C@H](C(=O)N([C@](C1=O)(CC2=CC=CC=C2O)O)C)CC3=CNC4=C3C(=CC=C4)[N+](=O)[O-]
0 references
found in taxon
Streptomyces albus
1 reference
stated in
High-Yield Production of Herbicidal Thaxtomins and Thaxtomin Analogs in a Nonpathogenic Streptomyces Strain
Streptomyces scabiei
2 references
stated in
Chemistry of phytotoxins associated with Streptomyces scabies the causal organism of potato common scab
stated in
High-Yield Production of Herbicidal Thaxtomins and Thaxtomin Analogs in a Nonpathogenic Streptomyces Strain
Identifiers
InChI
InChI=1S/C22H22N4O6/c1-24-17(10-14-12-23-15-7-5-8-16(19(14)15)26(31)32)20(28)25(2)22(30,21(24)29)11-13-6-3-4-9-18(13)27/h3-9,12,17,23,27,30H,10-11H2,1-2H3/t17-,22+/m0/s1
0 references
InChIKey
XNRUYCJWMXPFHD-HTAPYJJXSA-N
2 references
stated in
PubChem
PubChem CID
76326879
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
76326879
language of work or name
English
PubChem CID
76326879
2 references
stated in
PubChem
PubChem CID
76326879
language of work or name
English
matched by identifier from
InChIKey
InChIKey
XNRUYCJWMXPFHD-HTAPYJJXSA-N
ChEBI ID
198873
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H22N4O6/c1-24-17(10-14-12-23-15-7-5-8-16(19(14)15)26(31)32)20(28)25(2)22(30,21(24)29)11-13-6-3-4-9-18(13)27/h3-9,12,17,23,27,30H,10-11H2,1-2H3/t17-,22+/m0/s1
UniChem compound ID
79980506
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA001531
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XNRUYCJWMXPFHD-HTAPYJJXSA-N
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