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CHEBI:200915 - Meleagrin B

ChEBI IDCHEBI:200915
ChEBI NameMeleagrin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H53N5O6
Net Charge0
Average Mass735.926
Monoisotopic Mass735.39958
SMILESC=CC(C)(C)[C@@]12C=C(O)C(=O)N3/C(=C/c4cn([C@@H]5C[C@@]6(O)O[C@H]7C[C@]6(C)[C@]6(C[C@]8(C)CCC(C)(C)[C@@H]8[C@@H]76)[C@@H]5C)cn4)C(=O)N[C@]31N(OC)c1ccccc12
InChIInChI=1S/C43H53N5O6/c1-10-37(5,6)41-19-30(49)35(51)47-28(34(50)45-43(41,47)48(53-9)27-14-12-11-13-26(27)41)17-25-21-46(23-44-25)29-18-42(52)39(8)20-31(54-42)32-33-36(3,4)15-16-38(33,7)22-40(32,39)24(29)2/h10-14,17,19,21,23-24,29,31-33,49,52H,1,15-16,18,20,22H2,2-9H3,(H,45,50)/b28-17+/t24-,29-,31+,32-,33+,38+,39-,40-,41+,42-,43+/m1/s1
InChIKeyQXXDYFVGMBQXIZ-MSHMFDJHSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1016/j.tet.2008.11.078)
ChEBI Ontology
Outgoing Relation(s)
Meleagrin B (CHEBI:200915) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,9R,14E)-11-hydroxy-14-[[1-[(1S,2R,3S,7S,9R,10S,11R,13R,14R)-13-hydroxy-4,4,7,10,14-pentamethyl-16-oxapentacyclo[11.2.1.02,9.03,7.09,14]hexadecan-11-yl]imidazol-4-yl]methylidene]-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione
Manual XrefsDatabases
78436692ChemSpider