CHEBI:217630 - Thaxtomin C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Thaxtomin C
ChEBI ID CHEBI:217630
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H20N4O4
Net Charge 0
Average Mass 392.415
Monoisotopic Mass 392.14846
InChI InChI=1S/C21H20N4O4/c1-24-18(11-14-12-22-15-8-5-9-17(19(14)15)25(28)29)20(26)23-16(21(24)27)10-13-6-3-2-4-7-13/h2-9,12,16,18,22H,10-11H2,1H3,(H,23,26)/t16-,18-/m0/s1
InChIKey IAIWBAHUWORDTI-WMZOPIPTSA-N
SMILES O=[N+]([O-])C1=C2C(NC=C2C[C@@H]3N(C(=O)[C@H](CC4=CC=CC=C4)NC3=O)C)=CC=C1
Metabolite of Species Details
Streptomyces scabiei (NCBI:txid1930) See: DOI
ChEBI Ontology
Outgoing Thaxtomin C (CHEBI:217630) has functional parent α-amino acid (CHEBI:33704)
Thaxtomin C (CHEBI:217630) is a organonitrogen compound (CHEBI:35352)
Thaxtomin C (CHEBI:217630) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3S,6S)-3-benzyl-1-methyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione
Manual Xref Database
9276392 ChemSpider
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