CHEBI:3097 - Bikhaconitine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Bikhaconitine
ChEBI ID CHEBI:3097
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C36H51NO11
Net Charge 0
Average Mass 673.792
Monoisotopic Mass 673.34621
InChI InChI=1S/C36H51NO11/c1-9-37-17-33(18-41-3)13-12-24(44-6)36-21-15-34(40)25(45-7)16-35(48-19(2)38,27(30(36)37)28(46-8)29(33)36)26(21)31(34)47-32(39)20-10-11-22(42-4)23(14-20)43-5/h10-11,14,21,24-31,40H,9,12-13,15-18H2,1-8H3/t21-,24+,25+,26-,27+,28+,29-,30?,31-,33+,34+,35-,36+/m1/s1
InChIKey CYIFGHJXUWZGSW-GRXCUHEDSA-N
SMILES CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccc(OC)c(OC)c7)[C@@H]5[C@@](C[C@@H]6OC)(OC(C)=O)[C@@H]([C@H](OC)[C@H]23)C14
ChEBI Ontology
Outgoing Bikhaconitine (CHEBI:3097) is a diterpenoid (CHEBI:23849)
Synonym Source
Bikhaconitine KEGG COMPOUND
Manual Xrefs Databases
C00001620 KNApSAcK
C08664 KEGG COMPOUND
View more database links
Registry Number Type Source
6078-26-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014