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CHEBI:199351 - Lolitrem N 10-O-propionate

ChEBI IDCHEBI:199351
ChEBI NameLolitrem N 10-O-propionate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H53NO8
Net Charge0
Average Mass675.863
Monoisotopic Mass675.37712
SMILESCCC(=O)O[C@H]1C2O[C@@]23[C@H](CC[C@@]2(C)[C@@]3(O)CC[C@H]3Cc4c(nc5ccc6c(c45)C[C@H]4[C@@H](C6=O)C(C)(C)OC4(C)C)[C@@]32C)O[C@@H]1C(C)(C)O
InChIInChI=1S/C40H53NO8/c1-10-26(42)47-30-32(34(2,3)44)46-25-14-15-37(8)38(9)19(13-16-39(37,45)40(25)33(30)48-40)17-22-27-21-18-23-28(36(6,7)49-35(23,4)5)29(43)20(21)11-12-24(27)41-31(22)38/h11-12,19,23,25,28,30,32-33,41,44-45H,10,13-18H2,1-9H3/t19-,23-,25-,28-,30+,32-,33?,37+,38+,39-,40-/m0/s1
InChIKeyQADALVAFWHVSQX-JLIAHFTKSA-N
Species of MetaboliteComponentSourceComments
Neotyphodium (ncbitaxon:45284) - PubMed (10554283)
ChEBI Ontology
Outgoing Relation(s)
Lolitrem N 10-O-propionate (CHEBI:199351) is a organic heterotricyclic compound (CHEBI:26979)
Lolitrem N 10-O-propionate (CHEBI:199351) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(2S,3R,6S,8S,9R,12S,13S,16S,22S,26R)-13-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-27-oxo-7,11,24-trioxa-32-azanonacyclo[16.14.0.02,16.03,13.06,12.010,12.019,31.020,28.022,26]dotriaconta-1(18),19(31),20(28),29-tetraen-9-yl] propanoate
Manual XrefsDatabases
78439601ChemSpider