CHEBI:202644 - Rel-(8R)-9-hydroxy-8-methoxy-18-epi-fumitremorgin C

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ChEBI Name Rel-(8R)-9-hydroxy-8-methoxy-18-epi-fumitremorgin C
ChEBI ID CHEBI:202644
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H27N3O5
Net Charge 0
Average Mass 425.485
Monoisotopic Mass 425.19507
InChI InChI=1S/C23H27N3O5/c1-12(2)10-17-19-18(14-8-7-13(30-3)11-15(14)24-19)20(31-4)23(29)22(28)25-9-5-6-16(25)21(27)26(17)23/h7-8,10-11,16-17,20,24,29H,5-6,9H2,1-4H3/t16-,17+,20+,23+/m0/s1
InChIKey DARSEBUZHJPBHI-PYDOFHOQSA-N
SMILES O=C1N2[C@H](C(=O)N3[C@@]1(O)[C@H](OC)C=4C5=C(C=C(OC)C=C5)NC4[C@H]3C=C(C)C)CCC2
Metabolite of Species Details
Aspergillus fumigatus (NCBI:txid746128) See: DOI
ChEBI Ontology
Outgoing Rel-(8R)-9-hydroxy-8-methoxy-18-epi-fumitremorgin C (CHEBI:202644) is a β-carbolines (CHEBI:60834)
IUPAC Name
(1R,2R,12R,15S)-1-hydroxy-2,7-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
Manual Xref Database
28533823 ChemSpider
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