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CHEBI:202143 - Fumitremorgin D

ChEBI IDCHEBI:202143
ChEBI NameFumitremorgin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC40H41N3O11
Net Charge0
Average Mass739.778
Monoisotopic Mass739.27411
SMILESCOc1ccc2c3c(nc2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)C1(OC)[C@H]3OC(=O)c1cc(O)cc(OC)c1C(=O)c1c(O)cc(C)cc1OC
InChIInChI=1S/C40H41N3O11/c1-19(2)13-27-34-32(23-11-10-22(50-4)18-25(23)41-34)36(40(53-7)39(49)42-12-8-9-26(42)37(47)43(27)40)54-38(48)24-16-21(44)17-30(52-6)31(24)35(46)33-28(45)14-20(3)15-29(33)51-5/h10-11,13-18,26-27,36,41,44-45H,8-9,12H2,1-7H3/t26-,27-,36-,40?/m0/s1
InChIKeyJFCHGIIEFAWEJI-BKUUUEHISA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) - PubMed (25594349)
ChEBI Ontology
Outgoing Relation(s)
Fumitremorgin D (CHEBI:202143) is a benzophenones (CHEBI:22726)
IUPAC Name 
[(2S,12S,15S)-1,7-dimethoxy-12-(2-methylprop-1-enyl)-14,20-dioxo-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraen-2-yl] 5-hydroxy-2-(2-hydroxy-6-methoxy-4-methylbenzoyl)-3-methoxybenzoate
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