CHEBI:184897 - Multijuginol

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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 Multijuginol
ChEBI ID CHEBI:184897
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H20O6
Net Charge 0
Average Mass 380.396
Monoisotopic Mass 380.12599
InChI InChI=1S/C22H20O6/c1-22(2)20(24)18-17-15(27-21(18)28-22)10-14(25-3)16-12(23)9-13(26-19(16)17)11-7-5-4-6-8-11/h4-10,18,20-21,24H,1-3H3/t18-,20-,21+/m1/s1
InChIKey LWPLUSZMJGIFAR-NRSPTQNISA-N
SMILES O1C([C@H](O)[C@@]2([C@]1(OC=3C2=C4OC(=CC(=O)C4=C(OC)C3)C5=CC=CC=C5)[H])[H])(C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Multijuginol (CHEBI:184897) is a flavones (CHEBI:24043)
IUPAC Name
(12S,15R,16R)-15-hydroxy-8-methoxy-14,14-dimethyl-4-phenyl-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1,4,7,9-tetraen-6-one
Manual Xrefs Databases
24843242 ChemSpider
LMPK12110184 LIPID MAPS
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