CHEBI:224643 - Agroclavine I

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ChEBI Name Agroclavine I
ChEBI ID CHEBI:224643
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C16H18N2
Net Charge 0
Average Mass 238.334
Monoisotopic Mass 238.14700
InChI InChI=1S/C16H18N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,8,13,15,17H,7,9H2,1-2H3/t13-,15+/m0/s1
InChIKey XJOOMMHNYOJWCZ-DZGCQCFKSA-N
SMILES N1([C@H]2[C@H](C3=C4C(=CC=C3)NC=C4C2)C=C(C1)C)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: DOI
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 Agroclavine I (CHEBI:224643) is a alkaloid (CHEBI:22315)
IUPAC Name
(6aR,10aS)-7,9-dimethyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-g]quinoline
Manual Xref Database
139178 ChemSpider
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