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CHEBI:201258 - Neofipiperzine A

ChEBI IDCHEBI:201258
ChEBI NameNeofipiperzine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33N3O8
Net Charge0
Average Mass527.574
Monoisotopic Mass527.22677
SMILESCOc1ccc2c3c4n(c2c1)[C@@H](C=C(C)C)OOC(C)(C)[C@H](O)[C@@H]4N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3O
InChIInChI=1S/C27H33N3O8/c1-13(2)11-18-29-17-12-14(36-5)8-9-15(17)19-20(29)21(23(32)26(3,4)38-37-18)30-24(33)16-7-6-10-28(16)25(34)27(30,35)22(19)31/h8-9,11-12,16,18,21-23,31-32,35H,6-7,10H2,1-5H3/t16-,18+,21+,22-,23+,27+/m0/s1
InChIKeyDIIPCTMZAPQKGG-XPJDWHCTSA-N
Species of MetaboliteComponentSourceComments
Neosartorya (ncbitaxon:36629) - DOI (10.1002/hlca.201300416)
ChEBI Ontology
Outgoing Relation(s)
Neofipiperzine A (CHEBI:201258) is a β-carbolines (CHEBI:60834)
IUPAC Name 
(9R,13R,14R,17S,23R,24S)-13,23,24-trihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione
Manual XrefsDatabases
78440856ChemSpider