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CHEBI:217103 - (+/-)-variecolortin A

ChEBI IDCHEBI:217103
ChEBI Name(+/-)-variecolortin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H33N3O9
Net Charge0
Average Mass651.672
Monoisotopic Mass651.22168
SMILESC=CC(C)(C)c1nc2ccccc2c1C=C1NC(=O)[C@]23C[C@H](c4c(c(C)cc(O)c4C(=O)OC)O2)[C@]2(CC(=O)C=C(OC)C2=O)N3C1=O
InChIInChI=1S/C36H33N3O9/c1-7-34(3,4)29-20(19-10-8-9-11-22(19)37-29)14-23-31(43)39-35(15-18(40)13-25(46-5)30(35)42)21-16-36(39,33(45)38-23)48-28-17(2)12-24(41)27(26(21)28)32(44)47-6/h7-14,21,37,41H,1,15-16H2,2-6H3,(H,38,45)/t21-,35+,36+/m1/s1
InChIKeyQZPKRXOBZYTEBJ-XGHYGGRWSA-N
Species of MetaboliteComponentSourceComments
Eurotiumspecies SCSIO F452 (ncbitaxon:1246140) - PubMed (30011219)
ChEBI Ontology
Outgoing Relation(s)
(+/-)-variecolortin A (CHEBI:217103) is a benzenes (CHEBI:22712)
(+/-)-variecolortin A (CHEBI:217103) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
methyl (1S,9R,10S)-6-hydroxy-1'-methoxy-4-methyl-13-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-3',6',12,15-tetraoxospiro[2-oxa-11,14-diazatetracyclo[7.6.1.01,11.03,8]hexadeca-3(8),4,6-triene-10,5'-cyclohexene]-7-carboxylate
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