CHEBI:202143 - Fumitremorgin D

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Fumitremorgin D
ChEBI ID CHEBI:202143
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H41N3O11
Net Charge 0
Average Mass 739.778
Monoisotopic Mass 739.27411
InChI InChI=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
InChIKey JFCHGIIEFAWEJI-BKUUUEHISA-N
SMILES O=C1N2[C@H](C(=O)N3C1(OC)[C@@H](OC(=O)C4=C(C(OC)=CC(=C4)O)C(=O)C5=C(OC)C=C(C)C=C5O)C=6C7=C(C=C(OC)C=C7)NC6[C@@H]3C=C(C)C)CCC2
Metabolite of Species Details
Aspergillus fumigatus (NCBI:txid746128) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
78436824 ChemSpider
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