CHEBI:6378 - Lappaconitine

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ChEBI Name Lappaconitine
ChEBI ID CHEBI:6378
Stars This entity has been manually annotated by a third party.
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Formula C32H44N2O8
Net Charge 0
Average Mass 584.702
Monoisotopic Mass 584.30977
InChI InChI=1S/C32H44N2O8/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35)/t19-,20+,22+,23-,24+,25+,26?,27+,29-,30+,31+,32+/m1/s1
InChIKey NWBWCXBPKTTZNQ-BAERZWJTSA-N
SMILES CCN1C[C@@]2(CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@]5(O)[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)C14)OC(=O)c1ccccc1NC(C)=O
ChEBI Ontology
Outgoing Lappaconitine (CHEBI:6378) is a diterpenoid (CHEBI:23849)
Synonym Source
Lappaconitine KEGG COMPOUND
Manual Xrefs Databases
C00001650 KNApSAcK
C08694 KEGG COMPOUND
View more database links
Registry Number Type Source
32854-75-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014