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CHEBI:208863 - Sclerotiotide L

ChEBI IDCHEBI:208863
ChEBI NameSclerotiotide L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H40N4O6
Net Charge0
Average Mass480.606
Monoisotopic Mass480.29478
SMILESCOC(/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)C(C)O
InChIInChI=1S/C24H40N4O6/c1-15(2)21-24(33)27(5)16(3)22(31)25-14-10-11-18(23(32)28(21)6)26-20(30)13-9-8-12-19(34-7)17(4)29/h8-9,12-13,15-19,21,29H,10-11,14H2,1-7H3,(H,25,31)(H,26,30)/b12-8+,13-9+/t16-,17?,18-,19?,21-/m0/s1
InChIKeyRMXAQEHTFWVRNV-QPEMMFCMSA-N
Species of MetaboliteComponentSourceComments
Aspergillus violaceofuscus (ncbitaxon:657443) - PubMed (29963550)
ChEBI Ontology
Outgoing Relation(s)
Sclerotiotide L (CHEBI:208863) is a azamacrocycle (CHEBI:52898)
Sclerotiotide L (CHEBI:208863) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(2E,4E)-7-hydroxy-6-methoxy-N-[(3S,6S,9S)-3,4,7-trimethyl-2,5,8-trioxo-6-propan-2-yl-1,4,7-triazacyclododec-9-yl]octa-2,4-dienamide
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71044376ChemSpider