CHEBI:9115 - Sergeolide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Sergeolide
ChEBI ID CHEBI:9115
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H28O11
Net Charge 0
Average Mass 504.484
Monoisotopic Mass 504.16316
InChI InChI=1S/C25H28O11/c1-9-11-5-15(27)35-13(11)7-23(3)12(9)6-14-24-8-33-25(22(31)32-4,20(29)16(28)18(23)24)19(24)17(21(30)36-14)34-10(2)26/h5,7,9,12,14,16-20,28-29H,6,8H2,1-4H3/t9-,12+,14-,16-,17-,18-,19-,20+,23+,24-,25+/m1/s1
InChIKey ZZKFDOQILIXHHH-OKNMSMBGSA-N
SMILES COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(C)=O)C(=O)O[C@@H]3C[C@H]1[C@H](C)C3=CC(=O)OC3=C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O
ChEBI Ontology
Outgoing Sergeolide (CHEBI:9115) is a triterpenoid (CHEBI:36615)
Synonym Source
Sergeolide KEGG COMPOUND
Manual Xrefs Databases
C00003730 KNApSAcK
C08782 KEGG COMPOUND
View more database links
Registry Number Type Source
82290-17-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014