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CHEBI:144409 - Lolitrem J

ChEBI IDCHEBI:144409
ChEBI NameLolitrem J
Stars
Submittermwilliams
DownloadsMolfile
FormulaC39H51NO8
Net Charge0
Average Mass661.836
Monoisotopic Mass661.36147
SMILESCC(=O)OC(C)(C)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c(nc6ccc7c(c56)C[C@@H]5[C@@H](C7=O)C(C)(C)OC5(C)C)[C@@]43C)[C@]23O[C@@H]3[C@@H]1O
InChIInChI=1S/C39H51NO8/c1-18(41)46-35(6,7)31-29(43)32-39(47-32)25(45-31)13-14-36(8)37(9)19(12-15-38(36,39)44)16-22-26-21-17-23-27(34(4,5)48-33(23,2)3)28(42)20(21)10-11-24(26)40-30(22)37/h10-11,19,23,25,27,29,31-32,40,43-44H,12-17H2,1-9H3/t19-,23+,25-,27-,29+,31-,32+,36+,37+,38-,39-/m0/s1
InChIKeyVNMQQZRCEWTMBA-RBWQMGEFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) liver (BTO:0000759) MetaboLights (MTBLS586) Strain: BALB/c [EFO:0000602]
ChEBI Ontology
Outgoing Relation(s)
Lolitrem J (CHEBI:144409) is a organic heterotricyclic compound (CHEBI:26979)
Lolitrem J (CHEBI:144409) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-[(2S,3R,6S,8S,9R,10R,12S,13S,16S,22R,26R)-9,13-dihydroxy-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-8-yl]propan-2-yl acetate
Manual XrefsDatabases
C20549KEGG COMPOUND