CHEBI:183897 - Amorphigenin

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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 Amorphigenin
ChEBI ID CHEBI:183897
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H22O7
Net Charge 0
Average Mass 410.422
Monoisotopic Mass 410.13655
InChI InChI=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
InChIKey ZJMLELXRQUXRIU-HBGVWJBISA-N
SMILES O1[C@]2([C@](C=3C(OC2)=CC(OC)=C(OC)C3)(C(=O)C4=C1C=5C[C@@H](OC5C=C4)C(CO)=C)[H])[H]
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835) Found in Whole Organism (NCIT:C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
83246 ChemSpider
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Registry Number Type Source
4208-09-7 CAS Registry Number ChemIDplus