CHEBI:8208 - Pilocereine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Pilocereine
ChEBI ID CHEBI:8208
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C45H65N3O6
Net Charge 0
Average Mass 744.016
Monoisotopic Mass 743.48734
InChI InChI=1S/C45H65N3O6/c1-26(2)19-33-32-25-37(36(50-10)22-29(32)13-16-46(33)7)53-45-41-31(15-18-48(9)35(41)21-28(5)6)24-39(52-12)43(45)54-44-40-30(23-38(51-11)42(44)49)14-17-47(8)34(40)20-27(3)4/h22-28,33-35,49H,13-21H2,1-12H3
InChIKey AFQDIEHIPKSXRL-UHFFFAOYSA-N
SMILES COc1cc2CCN(C)C(CC(C)C)c2cc1Oc1c(Oc2c(O)c(OC)cc3CCN(C)C(CC(C)C)c23)c(OC)cc2CCN(C)C(CC(C)C)c12
ChEBI Ontology
Outgoing Pilocereine (CHEBI:8208) is a aromatic ether (CHEBI:35618)
Synonym Source
Pilocereine KEGG COMPOUND
Manual Xrefs Databases
C00001903 KNApSAcK
C09609 KEGG COMPOUND
View more database links
Registry Number Type Source
2552-47-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014