CHEBI:172021 - Desoxoglabrolide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Desoxoglabrolide
ChEBI ID CHEBI:172021
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H46O3
Net Charge 0
Average Mass 454.695
Monoisotopic Mass 454.34470
InChI InChI=1S/C30H46O3/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3)17-23(33-24(26)32)27(19,4)14-15-29(18,30)6/h8,19-23,31H,9-17H2,1-7H3
InChIKey HHQJBWYXBWOFJY-UHFFFAOYSA-N
SMILES O1C2C3(C(C=4C(C5(C(C6(C(CC5)C(C(O)CC6)(C)C)C)CC4)C)(CC3)C)CC(C2)(C1=O)C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing Desoxoglabrolide (CHEBI:172021) is a triterpenoid (CHEBI:36615)
IUPAC Name
11-hydroxy-2,5,6,10,10,14,21-heptamethyl-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-en-22-one
Manual Xrefs Databases
4423147 ChemSpider
HMDB0035791 HMDB
View more database links