CHEBI:183897 - Amorphigenin

ChEBI IDCHEBI:183897
ChEBI NameAmorphigenin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22O7
Net Charge0
Average Mass410.422
Monoisotopic Mass410.13655
SMILES[H][C@@]12COc3cc(OC)c(OC)cc3[C@]1([H])C(=O)c1ccc3c(c1O2)C[C@H](C(=C)CO)O3
InChIInChI=1S/C23H22O7/c1-11(9-24)16-7-14-15(29-16)5-4-12-22(25)21-13-6-18(26-2)19(27-3)8-17(13)28-10-20(21)30-23(12)14/h4-6,8,16,20-21,24H,1,7,9-10H2,2-3H3/t16-,20-,21+/m1/s1
InChIKeyZJMLELXRQUXRIU-HBGVWJBISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
ChEBI Ontology
Outgoing Relation(s)
Amorphigenin (CHEBI:183897) is a rotenones (CHEBI:72581)
IUPAC Name 
(1S,6R,13S)-6-(3-hydroxyprop-1-en-2-yl)-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
Manual XrefsDatabases
83246ChemSpider
Registry NumbersSources
CAS:4208-09-7ChemIDplus