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CHEBI:231148 - Janthitrem G

ChEBI IDCHEBI:231148
ChEBI NameJanthitrem G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H51NO6
Net Charge0
Average Mass629.838
Monoisotopic Mass629.37164
SMILESCC(=O)O[C@@H]1C=C2[C@H](CC[C@@]3(C)[C@@]2(O)CC[C@H]2Cc4c(nc5cc6c(cc45)C[C@H]4C6=CC(C)(C)OC4(C)C)[C@@]23C)O[C@@H]1C(C)(C)O
InChIInChI=1S/C39H51NO6/c1-20(41)44-31-18-28-30(45-33(31)35(4,5)42)11-12-37(8)38(9)22(10-13-39(28,37)43)16-25-24-14-21-15-27-26(19-34(2,3)46-36(27,6)7)23(21)17-29(24)40-32(25)38/h14,17-19,22,27,30-31,33,40,42-43H,10-13,15-16H2,1-9H3/t22-,27-,30-,31+,33-,37+,38+,39+/m0/s1
InChIKeyPGYSJEQVCATFBQ-HNUHRZRSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Janthitrem G (CHEBI:231148) is a organic heterotricyclic compound (CHEBI:26979)
Janthitrem G (CHEBI:231148) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(2S,3R,6S,8S,9R,12S,15S,22S)-12-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18(30),19,26,28-hexaen-9-yl] acetate
Manual XrefsDatabases
160885ChemSpider