CHEBI:4384 - Delphinine

ChEBI IDCHEBI:4384
ChEBI NameDelphinine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC33H45NO9
Net Charge0
Average Mass599.721
Monoisotopic Mass599.30943
SMILES[H][C@]12C[C@]3(O)[C@@H](OC)C[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/C33H45NO9/c1-18(35)43-32-15-22(40-5)31(37)14-20(23(32)28(31)42-29(36)19-10-8-7-9-11-19)33-21(39-4)12-13-30(17-38-3)16-34(2)27(33)24(32)25(41-6)26(30)33/h7-11,20-28,37H,12-17H2,1-6H3/t20-,21+,22+,23-,24+,25+,26-,27?,28-,30+,31+,32-,33+/m1/s1
InChIKeyREVYTWNGZDPRKE-UWZYQZSNSA-N
ChEBI Ontology
Outgoing Relation(s)
Delphinine (CHEBI:4384) is a diterpenoid (CHEBI:23849)
Synonym  Source
DelphinineKEGG COMPOUND
Manual XrefsDatabases
C08677KEGG COMPOUND
C00001633KNApSAcK
Registry NumbersSources
CAS:561-07-9KEGG COMPOUND