CHEBI:2522 - Ailanthone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Ailanthone
ChEBI ID CHEBI:2522
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H24O7
Net Charge 0
Average Mass 376.401
Monoisotopic Mass 376.152
InChI InChI=1S/C20H24O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,10-11,13,15-17,23-25H,2,5-7H2,1,3H3/t10-,11-,13+,15+,16+,17+,18+,19+,20-/m0/s1
InChIKey WBBVXGHSWZIJST-RLQYZCPESA-N
SMILES CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@]4(O)OC[C@@]33[C@@H](C[C@@H]12)OC(=O)C[C@H]3C(=C)[C@H]4O
ChEBI Ontology
Outgoing Ailanthone (CHEBI:2522) is a triterpenoid (CHEBI:36615)
Synonym Source
Ailanthone KEGG COMPOUND
Manual Xrefs Databases
C00003697 KNApSAcK
C08747 KEGG COMPOUND
View more database links
Registry Number Type Source
981-15-7 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014