CHEBI:5375 - Glaucolide B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Glaucolide B
ChEBI ID CHEBI:5375
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H26O10
Net Charge 0
Average Mass 438.426
Monoisotopic Mass 438.15260
InChI InChI=1S/C21H26O10/c1-10(22)27-9-13-16-14(28-11(2)23)8-21(5,30-12(3)24)15(25)6-7-20(4)18(31-20)17(16)29-19(13)26/h14,17-18H,6-9H2,1-5H3/t14-,17-,18+,20+,21+/m0/s1
InChIKey JNLNEIIZZQABDP-ZBWGKUOUSA-N
SMILES CC(=O)OCC1=C2[C@H](OC1=O)[C@H]1O[C@]1(C)CCC(=O)[C@@](C)(C[C@@H]2OC(C)=O)OC(C)=O
ChEBI Ontology
Outgoing Glaucolide B (CHEBI:5375) is a carboxylic ester (CHEBI:33308)
Glaucolide B (CHEBI:5375) is a ketone (CHEBI:17087)
Synonym Source
Glaucolide B KEGG COMPOUND
Manual Xrefs Databases
C00003291 KNApSAcK
C09465 KEGG COMPOUND
View more database links
Registry Number Type Source
11091-27-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014