EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:144390 - Lolicine B

ChEBI IDCHEBI:144390
ChEBI NameLolicine B
Stars
Submittermwilliams
DownloadsMolfile
FormulaC38H51NO6
Net Charge0
Average Mass617.827
Monoisotopic Mass617.37164
SMILESCC(C)(O)[C@@H]1C[C@@H](O)[C@]2(C=O)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2Cc4c(nc5ccc6c(c45)C[C@@H]4[C@@H](C6=O)C(C)(C)OC4(C)C)[C@@]23C)O1
InChIInChI=1S/C38H51NO6/c1-33(2,43)28-17-26(41)38(18-40)25-12-9-19-15-22-29-21-16-23-30(35(5,6)45-34(23,3)4)31(42)20(21)10-11-24(29)39-32(22)37(19,8)36(25,7)14-13-27(38)44-28/h10-11,18-19,23,25-28,30,39,41,43H,9,12-17H2,1-8H3/t19-,23+,25+,26+,27-,28-,30-,36-,37+,38+/m0/s1
InChIKeyPEJCOIYIVMELDV-GARPVJMRSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) liver (BTO:0000759) MetaboLights (MTBLS586) Strain: BALB/c [EFO:0000602]
ChEBI Ontology
Outgoing Relation(s)
Lolicine B (CHEBI:144390) is a 19-oxo steroid (CHEBI:38149)
IUPAC Name 
(2S,3S,6S,8S,10R,11S,12R,15S,21R,25R)-10-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,22,22,24,24-hexamethyl-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-tetraene-11-carbaldehyde
Manual XrefsDatabases
C20585KEGG COMPOUND