CHEBI:215510 - 9-methoxyfumitremorgin C

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ChEBI Name 9-methoxyfumitremorgin C
ChEBI ID CHEBI:215510
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H27N3O4
Net Charge 0
Average Mass 409.486
Monoisotopic Mass 409.20016
InChI InChI=1S/C23H27N3O4/c1-13(2)10-19-20-16(15-8-7-14(29-3)11-17(15)24-20)12-23(30-4)22(28)25-9-5-6-18(25)21(27)26(19)23/h7-8,10-11,18-19,24H,5-6,9,12H2,1-4H3/t18-,19-,23+/m0/s1
InChIKey HVVRMHXSUSNCIE-SFYKDHMMSA-N
SMILES O=C1N2[C@H](C(=O)N3[C@@]1(OC)CC=4C5=C(C=C(OC)C=C5)NC4[C@@H]3C=C(C)C)CCC2
Metabolite of Species Details
Aspergillus fischeri (NCBI:txid36630) See: PubMed
ChEBI Ontology
Outgoing 9-methoxyfumitremorgin C (CHEBI:215510) is a β-carbolines (CHEBI:60834)
IUPAC Name
(1R,12S,15S)-1,7-dimethoxy-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-14,20-dione