CHEBI:5831 - Hypaconitine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Hypaconitine
ChEBI ID CHEBI:5831
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C33H45NO10
Net Charge 0
Average Mass 615.712
Monoisotopic Mass 615.30435
InChI InChI=1S/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20+,21-,22+,23+,24-,25?,26+,27-,28+,30+,31-,32+,33-/m1/s1
InChIKey FIDOCHXHMJHKRW-VHQVDBNASA-N
SMILES COC[C@@]12CC[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)[C@@H]5[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@H]13)C4N(C)C2)[C@@H](O)[C@@H]6OC
ChEBI Ontology
Outgoing Hypaconitine (CHEBI:5831) is a diterpenoid (CHEBI:23849)
Synonym Source
Hypaconitine KEGG COMPOUND
Manual Xrefs Databases
C00001644 KNApSAcK
C08688 KEGG COMPOUND
View more database links
Registry Number Type Source
6900-87-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014