CHEBI:5061 - Finaconitine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Finaconitine
ChEBI ID CHEBI:5061
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C33H46N2O10
Net Charge 0
Average Mass 630.727
Monoisotopic Mass 630.31525
InChI InChI=1S/C33H46N2O10/c1-6-35-16-28(17-45-26(37)19-9-7-8-10-21(19)34-18(2)36)12-11-24(43-4)32-23(28)15-29(38,27(32)35)30(39)14-22(42-3)20-13-31(32,40)33(30,41)25(20)44-5/h7-10,20,22-25,27,38-41H,6,11-17H2,1-5H3,(H,34,36)/t20-,22+,23-,24+,25+,27?,28+,29-,30+,31-,32+,33+/m1/s1
InChIKey IUJWSEFNAUXHTB-PEOOALOTSA-N
SMILES CCN1C[C@]2(COC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@@]34[C@@H]2C[C@@](O)(C13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@]4(O)[C@]1(O)[C@H]2OC
ChEBI Ontology
Outgoing Finaconitine (CHEBI:5061) is a diterpenoid (CHEBI:23849)
Synonym Source
Finaconitine KEGG COMPOUND
Manual Xrefs Databases
C00001640 KNApSAcK
C08684 KEGG COMPOUND
View more database links
Registry Number Type Source
81161-27-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014