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CHEBI:229185 - Nuphleine

ChEBI IDCHEBI:229185
ChEBI NameNuphleine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42N2O4S
Net Charge0
Average Mass526.743
Monoisotopic Mass526.28653
SMILES[H][C@@]12CC[C@]3(C[C@@]4(CC[C@@]5([H])[C@H](C)CCC(c6ccoc6)N5[C@@H]4O)CS3)C(O)N1C(c1ccoc1)CC[C@H]2C
InChIInChI=1S/C30H42N2O4S/c1-19-3-5-25(21-9-13-35-15-21)31-23(19)7-11-29(27(31)33)17-30(37-18-29)12-8-24-20(2)4-6-26(32(24)28(30)34)22-10-14-36-16-22/h9-10,13-16,19-20,23-28,33-34H,3-8,11-12,17-18H2,1-2H3/t19-,20-,23+,24+,25?,26?,27-,28?,29+,30+/m1/s1
InChIKeyDYEOLAMWQVWASS-FMRYTICQSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Nuphleine (CHEBI:229185) is a quinolizines (CHEBI:38063)
Manual XrefsDatabases
4478384ChemSpider