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CHEBI:3412 - Cardiopetalidine

ChEBI IDCHEBI:3412
ChEBI NameCardiopetalidine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H33NO4
Net Charge0
Average Mass363.498
Monoisotopic Mass363.24096
SMILES[H][C@@]12CC[C@@]3(O)[C@@]([H])([C@H]1O)[C@@]([H])(C2)[C@]12C4N(CC)C[C@](C)(CC[C@@H]1O)[C@@]2([H])C[C@@]43O
InChIInChI=1S/C21H33NO4/c1-3-22-10-18(2)6-5-14(23)21-12-8-11-4-7-19(25,15(12)16(11)24)20(26,17(21)22)9-13(18)21/h11-17,23-26H,3-10H2,1-2H3/t11-,12+,13+,14-,15+,16-,17?,18-,19+,20+,21+/m0/s1
InChIKeyAIQHURFKXYCRCF-DFKOQAFRSA-N
ChEBI Ontology
Outgoing Relation(s)
Cardiopetalidine (CHEBI:3412) is a diterpenoid (CHEBI:23849)
Synonym  Source
CardiopetalidineKEGG COMPOUND
Manual XrefsDatabases
C08667KEGG COMPOUND
C00001623KNApSAcK
Registry NumbersSources
CAS:75375-44-9KEGG COMPOUND