CHEBI:138884 - Pennigritrem

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Pennigritrem
ChEBI ID CHEBI:138884
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C37H44ClNO6
Net Charge 0
Average Mass 634.203
Monoisotopic Mass 633.28572
InChI InChI=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
InChIKey HYLKKEXCEIKCIN-XKRGAXACSA-N
SMILES C=12C(=CC3=C4C1[C@]5([C@@](C(C2)=C)(C[C@@]5(C(O[C@]6([C@]7([C@](C(N3)=C46)([C@@]8([C@@](CC7)([C@]9%10[C@](CC8)(O[C@]%11([C@@]([C@H]9O%10)(OC%11(C)C)[H])[H])[H])O)C)C)[H])[H])(C)C)[H])[H])O)Cl
ChEBI Ontology
Outgoing Pennigritrem (CHEBI:138884) is a organic heterotricyclic compound (CHEBI:26979)
Pennigritrem (CHEBI:138884) is a organooxygen compound (CHEBI:36963)
Manual Xref Database
C20599 KEGG COMPOUND
View more database links
Last Modified
27 October 2017