CHEBI:9740 - Tripdiolide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Tripdiolide
ChEBI ID CHEBI:9740
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H24O7
Net Charge 0
Average Mass 376.401
Monoisotopic Mass 376.15220
InChI InChI=1S/C20H24O7/c1-7(2)18-13(26-18)14-20(27-14)17(3)5-10(21)12-8(6-24-15(12)22)9(17)4-11-19(20,25-11)16(18)23/h7,9-11,13-14,16,21,23H,4-6H2,1-3H3/t9-,10-,11-,13-,14-,16+,17-,18-,19+,20+/m0/s1
InChIKey PUJWFVBVNFXCHZ-SQEQANQOSA-N
SMILES CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@H]3C4=C([C@@H](O)C[C@]13C)C(=O)OC4)[C@@H]2O
ChEBI Ontology
Outgoing Tripdiolide (CHEBI:9740) is a oxacycle (CHEBI:38104)
Synonym Source
Tripdiolide KEGG COMPOUND
Manual Xrefs Databases
C00003493 KNApSAcK
C09202 KEGG COMPOUND
View more database links
Registry Number Type Source
38647-10-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014