EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:229158 - Lythrancine IV

ChEBI IDCHEBI:229158
ChEBI NameLythrancine IV
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H41NO8
Net Charge0
Average Mass579.690
Monoisotopic Mass579.28322
SMILES[H][C@]12CCCC3[C@H](OC(C)=O)[C@H](OC(C)=O)C[C@]([H])(c4ccc(OC)c(c4)-c4cc(ccc4OC)CC[C@@H](OC(C)=O)C1)N32
InChIInChI=1S/C33H41NO8/c1-19(35)40-25-12-9-22-10-13-30(38-4)26(15-22)27-16-23(11-14-31(27)39-5)29-18-32(41-20(2)36)33(42-21(3)37)28-8-6-7-24(17-25)34(28)29/h10-11,13-16,24-25,28-29,32-33H,6-9,12,17-18H2,1-5H3/t24-,25+,28?,29+,32+,33-/m0/s1
InChIKeyNEKIHSCHYFCIRU-PPYIFFAJSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Lythrancine IV (CHEBI:229158) is a quinolizidines (CHEBI:26516)
IUPAC Name 
[(1R,14R,16S,21S,22R)-21,22-diacetyloxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.12,6.17,11.020,24]hexacosa-2(26),3,5,7,9,11(25)-hexaen-14-yl] acetate
Manual XrefsDatabases
4911184ChemSpider