CHEBI:174938 - Aristolodione

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ChEBI Name Aristolodione
ChEBI ID CHEBI:174938
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H13NO4
Net Charge 0
Average Mass 307.305
Monoisotopic Mass 307.08446
InChI InChI=1S/C18H13NO4/c1-19-12-7-9-5-3-4-6-10(9)15-14(12)11(16(21)18(19)22)8-13(20)17(15)23-2/h3-8,20H,1-2H3
InChIKey JGDZUWXHWYXMSD-UHFFFAOYSA-N
SMILES O(C=1C2=C3C(N(C(=O)C(=O)C3=CC1O)C)=CC=4C2=CC=CC4)C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing Aristolodione (CHEBI:174938) has functional parent aporphine (CHEBI:35643)
Aristolodione (CHEBI:174938) is a isoquinoline alkaloid (CHEBI:24921)
IUPAC Name
15-hydroxy-16-methoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-11,12-dione
Manual Xrefs Databases
160098 ChemSpider
HMDB0033247 HMDB
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Registry Number Type Source
109771-09-7 CAS Registry Number ChemIDplus