CHEBI:7512 - Neoquassin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Neoquassin
ChEBI ID CHEBI:7512
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H30O6
Net Charge 0
Average Mass 390.471
Monoisotopic Mass 390.20424
InChI InChI=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
InChIKey BDQNCUODBJZKIY-NUPPOKJBSA-N
SMILES COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(O)C[C@H]4C(C)=C(OC)C(=O)[C@@H]([C@@]34C)[C@@]2(C)C1=O
ChEBI Ontology
Outgoing Neoquassin (CHEBI:7512) is a triterpenoid (CHEBI:36615)
Synonym Source
Neoquassin KEGG COMPOUND
Manual Xrefs Databases
C00003720 KNApSAcK
C08771 KEGG COMPOUND
View more database links
Registry Number Type Source
76-77-7 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014