CHEBI:9114 - Septentrionine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Septentrionine
ChEBI ID CHEBI:9114
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C38H54N2O11
Net Charge 0
Average Mass 714.844
Monoisotopic Mass 714.37276
InChI InChI=1S/C38H54N2O11/c1-8-40-19-35(20-51-33(43)21-11-9-10-12-24(21)39-27(41)13-14-28(42)47-4)16-15-26(46-3)37-23-17-22-25(45-2)18-36(50-7,29(23)30(22)48-5)38(44,34(37)40)32(49-6)31(35)37/h9-12,22-23,25-26,29-32,34,44H,8,13-20H2,1-7H3,(H,39,41)/t22-,23-,25+,26+,29-,30+,31-,32+,34?,35+,36-,37+,38-/m1/s1
InChIKey PXDSODACKDGKHO-MOEGOFPBSA-N
SMILES CCN1C[C@]2(COC(=O)c3ccccc3NC(=O)CCC(=O)OC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@@](C[C@@H]6OC)(OC)[C@@](O)([C@@H](OC)[C@H]23)C14
ChEBI Ontology
Outgoing Septentrionine (CHEBI:9114) is a diterpenoid (CHEBI:23849)
Synonym Source
Septentrionine KEGG COMPOUND
Manual Xrefs Databases
C00001662 KNApSAcK
C08706 KEGG COMPOUND
View more database links
Registry Number Type Source
70553-63-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014