CHEBI:180834 - 7-Acetoxy-6-hydroxylimonin

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 7-Acetoxy-6-hydroxylimonin
ChEBI ID CHEBI:180834
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H34O10
Net Charge 0
Average Mass 530.570
Monoisotopic Mass 530.21520
InChI InChI=1S/C28H34O10/c1-13(29)35-21-18(31)19-24(2,3)37-16-10-17(30)34-12-27(16,19)15-6-8-25(4)20(14-7-9-33-11-14)36-23(32)22-28(25,38-22)26(15,21)5/h7,9,11,15-16,18-22,31H,6,8,10,12H2,1-5H3
InChIKey LFAMVZIOUNWBKU-UHFFFAOYSA-N
SMILES O1C23C4(C(C56C(C(O)C4OC(=O)C)C(OC5CC(OC6)=O)(C)C)CCC2(C(OC(=O)C13)C=7C=COC7)C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133).
ChEBI Ontology
Outgoing 7-Acetoxy-6-hydroxylimonin (CHEBI:180834) is a steroid lactone (CHEBI:26766)
IUPAC Name
[19-(uran-3-yl)-11-hydroxy-9,9,13,20-tetramethyl-5,17-dioxo-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosan-12-yl] acetate
Manual Xrefs Databases
35013500 ChemSpider
HMDB0032834 HMDB
View more database links