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CHEBI:7512 - Neoquassin

Default Structure
ChEBI IDCHEBI:7512
ChEBI NameNeoquassin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC22H30O6
Net Charge0
Average Mass390.476
Monoisotopic Mass390.20424
SMILES[H]C1(O)C[C@@]2([H])C(C)=C(OC)C(=O)[C@]3([H])[C@@]4(C)C(=O)C(OC)=C[C@@H](C)[C@]4([H])C[C@@]([H])(O1)[C@]32C
InChIInChI=1S/C22H30O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15-16,19,23H,8-9H2,1-6H3/t10-,12+,13+,15-,16?,19+,21-,22+/m1/s1
InChIKeyBDQNCUODBJZKIY-NUPPOKJBSA-N
ChEBI Ontology
Outgoing Relation(s)
Neoquassin (CHEBI:7512) is a triterpenoid (CHEBI:36615)
Synonym  Source
NeoquassinKEGG COMPOUND
Manual XrefsDatabases
C00003720KNApSAcK
C08771KEGG COMPOUND
Registry NumbersSources
CAS:76-77-7KEGG COMPOUND