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CHEBI:201262 - Lolicine-A 11-O-propionate

ChEBI IDCHEBI:201262
ChEBI NameLolicine-A 11-O-propionate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H57NO6
Net Charge0
Average Mass659.908
Monoisotopic Mass659.41859
SMILESCCC(=O)O[C@@H]1C[C@@H](C(C)(C)O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4Cc5c(nc6ccc7c(c56)C[C@@H]5[C@@H](C7=O)C(C)(C)OC5(C)C)[C@@]43C)[C@@]21C
InChIInChI=1S/C41H57NO6/c1-11-31(43)47-30-20-29(36(2,3)45)46-28-16-17-39(8)27(40(28,30)9)15-12-21-18-24-32-23-19-25-33(38(6,7)48-37(25,4)5)34(44)22(23)13-14-26(32)42-35(24)41(21,39)10/h13-14,21,25,27-30,33,42,45H,11-12,15-20H2,1-10H3/t21-,25+,27+,28-,29-,30+,33-,39-,40-,41+/m0/s1
InChIKeyPZRAMTMTKBVJCA-HPVTZBPJSA-N
Species of MetaboliteComponentSourceComments
Neotyphodium (ncbitaxon:45284) - PubMed (10554283)
ChEBI Ontology
Outgoing Relation(s)
Lolicine-A 11-O-propionate (CHEBI:201262) is a organic heterotricyclic compound (CHEBI:26979)
Lolicine-A 11-O-propionate (CHEBI:201262) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(2S,3S,6S,8S,10R,11S,12R,15S,21R,25R)-8-(2-hydroxypropan-2-yl)-2,3,11,22,22,24,24-heptamethyl-26-oxo-7,23-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.019,27.021,25]hentriaconta-1(17),18(30),19(27),28-tetraen-10-yl] propanoate
Manual XrefsDatabases
78439626ChemSpider