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CHEBI:200282 - Neofipiperzine C

ChEBI IDCHEBI:200282
ChEBI NameNeofipiperzine C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H35N3O6
Net Charge0
Average Mass497.592
Monoisotopic Mass497.25259
SMILESCOc1ccc2c3c(n(CC=C(C)C)c2c1)[C@H](CC(C)(C)O)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3O
InChIInChI=1S/C27H35N3O6/c1-15(2)10-12-28-19-13-16(36-5)8-9-17(19)21-22(28)20(14-26(3,4)34)30-24(32)18-7-6-11-29(18)25(33)27(30,35)23(21)31/h8-10,13,18,20,23,31,34-35H,6-7,11-12,14H2,1-5H3/t18-,20-,23-,27+/m0/s1
InChIKeyPHYQSJPYTFUFQL-LRAXRWESSA-N
Species of MetaboliteComponentSourceComments
Neosartorya (ncbitaxon:36629) - DOI (10.1002/hlca.201300416)
ChEBI Ontology
Outgoing Relation(s)
Neofipiperzine C (CHEBI:200282) is a β-carbolines (CHEBI:60834)
IUPAC Name 
(1R,2S,12S,15S)-1,2-dihydroxy-12-(2-hydroxy-2-methylpropyl)-7-methoxy-10-(3-methylbut-2-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 XrefsDatabases
78440819ChemSpider