EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:138884 - Pennigritrem

ChEBI IDCHEBI:138884
ChEBI NamePennigritrem
Stars
Last Modified27 October 2017
Submittermwilliams
DownloadsMolfile
FormulaC37H44ClNO6
Net Charge0
Average Mass634.213
Monoisotopic Mass633.28572
SMILES[H][C@@]12CC[C@]3(O)[C@](C)(CC[C@]4([H])O[C@]5([H])C(C)(C)O[C@]5([H])[C@H]5O[C@@]534)[C@@]1(C)c1nc3cc(Cl)c4c5c3c1[C@@]2([H])OC(C)(C)[C@@]1([H])C[C@]([H])(C(=C)C4)[C@]51O
InChIInChI=1S/C37H44ClNO6/c1-15-12-16-19(38)14-20-23-24-26(43-31(2,3)21-13-18(15)36(21,41)25(16)23)17-8-11-35(40)33(6,34(17,7)28(24)39-20)10-9-22-37(35)30(45-37)27-29(42-22)32(4,5)44-27/h14,17-18,21-22,26-27,29-30,39-41H,1,8-13H2,2-7H3/t17-,18+,21+,22-,26-,27-,29-,30+,33+,34+,35-,36+,37-/m0/s1
InChIKeyHYLKKEXCEIKCIN-XKRGAXACSA-N
ChEBI Ontology
Outgoing Relation(s)
Pennigritrem (CHEBI:138884) is a organic heterotricyclic compound (CHEBI:26979)
Pennigritrem (CHEBI:138884) is a organooxygen compound (CHEBI:36963)
Manual XrefsDatabases
C20599KEGG COMPOUND