EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:190850 - Janthitrem F

ChEBI IDCHEBI:190850
ChEBI NameJanthitrem F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H51NO7
Net Charge0
Average Mass645.837
Monoisotopic Mass645.36655
SMILESCC(=O)OC1C=C2C(CCC3(C)C2(O)CCC2Cc4c(nc5cc6c(cc45)C(O)C4C6=CC(C)(C)OC4(C)C)C23C)OC1C(C)(C)O
InChIInChI=1S/C39H51NO7/c1-19(41)45-29-17-26-28(46-33(29)35(4,5)43)11-12-37(8)38(9)20(10-13-39(26,37)44)14-24-22-15-23-21(16-27(22)40-32(24)38)25-18-34(2,3)47-36(6,7)30(25)31(23)42/h15-18,20,28-31,33,40,42-44H,10-14H2,1-9H3
InChIKeySHMYDSYGDWIPKT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
Janthitrem F (CHEBI:190850) is a organic heterotricyclic compound (CHEBI:26979)
Janthitrem F (CHEBI:190850) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[12,21-dihydroxy-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),10,18,20(28),26,29-hexaen-9-yl] acetate
Manual XrefsDatabases
8184978ChemSpider
HMDB0030530HMDB