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CHEBI:208427 - Janthinolide B

ChEBI IDCHEBI:208427
ChEBI NameJanthinolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30N2O6
Net Charge0
Average Mass418.490
Monoisotopic Mass418.21039
SMILESC/C(=C\COc1ccc(/C=C2\NC(=O)[C@H](C)N(O)C2=O)cc1)CC[C@H](O)C(C)(C)O
InChIInChI=1S/C22H30N2O6/c1-14(5-10-19(25)22(3,4)28)11-12-30-17-8-6-16(7-9-17)13-18-21(27)24(29)15(2)20(26)23-18/h6-9,11,13,15,19,25,28-29H,5,10,12H2,1-4H3,(H,23,26)/b14-11+,18-13-/t15-,19-/m0/s1
InChIKeyMQUATMOIPMHKPH-VQBUCGEQSA-N
Species of MetaboliteComponentSourceComments
Penicillium janthinellum (ncbitaxon:5079) - PubMed (17283665)
ChEBI Ontology
Outgoing Relation(s)
Janthinolide B (CHEBI:208427) has functional parent α-amino acid (CHEBI:33704)
Janthinolide B (CHEBI:208427) is a organonitrogen compound (CHEBI:35352)
Janthinolide B (CHEBI:208427) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3Z,6S)-3-[[4-[(E,6S)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]phenyl]methylidene]-1-hydroxy-6-methylpiperazine-2,5-dione
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13087990ChemSpider