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CHEBI:5831 - Hypaconitine

ChEBI IDCHEBI:5831
ChEBI NameHypaconitine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC33H45NO10
Net Charge0
Average Mass615.720
Monoisotopic Mass615.30435
SMILES[H][C@]12C[C@]3(O)[C@@H](OC)[C@H](O)[C@](OC(C)=O)([C@@H]4C5N(C)C[C@]6(COC)CC[C@H](OC)[C@@]51[C@]6([H])[C@H]4OC)[C@@]2([H])[C@H]3OC(=O)c1ccccc1
InChIInChI=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
InChIKeyFIDOCHXHMJHKRW-VHQVDBNASA-N
ChEBI Ontology
Outgoing Relation(s)
Hypaconitine (CHEBI:5831) is a diterpenoid (CHEBI:23849)
Synonym  Source
HypaconitineKEGG COMPOUND
Manual XrefsDatabases
C08688KEGG COMPOUND
C00001644KNApSAcK
Registry NumbersSources
CAS:6900-87-4KEGG COMPOUND