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CHEBI:203583 - Sclerotiotide B

ChEBI IDCHEBI:203583
ChEBI NameSclerotiotide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34N4O4
Net Charge0
Average Mass406.527
Monoisotopic Mass406.25801
SMILESC/C=C/C=C/C(=O)N[C@H]1CCCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O
InChIInChI=1S/C21H34N4O4/c1-7-8-9-12-17(26)23-16-11-10-13-22-19(27)15(4)24(5)21(29)18(14(2)3)25(6)20(16)28/h7-9,12,14-16,18H,10-11,13H2,1-6H3,(H,22,27)(H,23,26)/b8-7+,12-9+/t15-,16-,18-/m0/s1
InChIKeyYDMIIJJQQVACFZ-DHHXFONYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (20503985)
ChEBI Ontology
Outgoing Relation(s)
Sclerotiotide B (CHEBI:203583) is a azamacrocycle (CHEBI:52898)
Sclerotiotide B (CHEBI:203583) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(2E,4E)-N-[(3S,6S,9S)-3,4,7-trimethyl-2,5,8-trioxo-6-propan-2-yl-1,4,7-triazacyclododec-9-yl]hexa-2,4-dienamide
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