CHEBI:200282 - Neofipiperzine C

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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 Neofipiperzine C
ChEBI ID CHEBI:200282
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H35N3O6
Net Charge 0
Average Mass 497.592
Monoisotopic Mass 497.25259
InChI InChI=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
InChIKey PHYQSJPYTFUFQL-LRAXRWESSA-N
SMILES O=C1N2[C@H](C(=O)N3[C@@]1(O)[C@@H](O)C=4C5=C(C=C(OC)C=C5)N(C4[C@@H]3CC(O)(C)C)CC=C(C)C)CCC2
Metabolite of Species Details
Neosartorya (NCBI:txid36629) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
78440819 ChemSpider
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