CHEBI:3103 - bilobalide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name bilobalide
ChEBI ID CHEBI:3103
Definition A terpenoid trilactone found in extracts of Ginkgo biloba.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H18O8
Net Charge 0
Average Mass 326.29860
Monoisotopic Mass 326.100
InChI InChI=1S/C15H18O8/c1-12(2,3)14(20)4-6-13(5-7(16)21-6)10(19)23-11-15(13,14)8(17)9(18)22-11/h6,8,11,17,20H,4-5H2,1-3H3/t6-,8-,11-,13-,14+,15+/m0/s1
InChIKey MOLPUWBMSBJXER-YDGSQGCISA-N
SMILES CC(C)(C)[C@]1(O)C[C@@H]2OC(=O)C[C@@]22C(=O)O[C@@H]3OC(=O)[C@H](O)[C@]123
ChEBI Ontology
Outgoing bilobalide (CHEBI:3103) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name
(3aS,8R,8aS,9R,10aS)-9-tert-butyl-8,9-dihydroxydihydro-9H-furo[2,3-b]furo[3',2':2,3]cyclopenta[1,2-c]furan-2,4,7(3H,8H)-trione
Manual Xrefs Databases
C00011512 KNApSAcK
C07605 KEGG COMPOUND
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Registry Numbers Types Sources
33570-04-6 CAS Registry Number ChemIDplus
5303543 Beilstein Registry Number Beilstein
Last Modified
04 August 2014