CHEBI:9632 - Toonacilin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Toonacilin
ChEBI ID CHEBI:9632
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C31H38O9
Net Charge 0
Average Mass 554.629
Monoisotopic Mass 554.25158
InChI InChI=1S/C31H38O9/c1-16-25(29(6)11-9-22(34)28(4,5)21(29)14-24(35)36-8)26(38-17(2)32)27(39-18(3)33)30(7)20(19-10-12-37-15-19)13-23-31(16,30)40-23/h9-12,15,20-21,23,25-27H,1,13-14H2,2-8H3/t20-,21-,23+,25+,26-,27-,29-,30+,31+/m0/s1
InChIKey RRBQYKQIAKFGIS-AMVRVENBSA-N
SMILES COC(=O)C[C@H]1C(C)(C)C(=O)C=C[C@]1(C)[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]2(C)[C@@H](C[C@H]3O[C@@]23C1=C)c1ccoc1
ChEBI Ontology
Outgoing Toonacilin (CHEBI:9632) is a sesquiterpenoid (CHEBI:26658)
Synonym Source
Toonacilin KEGG COMPOUND
Manual Xrefs Databases
C00003733 KNApSAcK
C08785 KEGG COMPOUND
View more database links
Registry Number Type Source
66610-71-7 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014