CHEBI:226996 - 6,7-seco-Agroclavine

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ChEBI Name 6,7-seco-Agroclavine
ChEBI ID CHEBI:226996
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H20N2
Net Charge 0
Average Mass 240.350
Monoisotopic Mass 240.16265
InChI InChI=1S/C16H20N2/c1-10(2)7-13-12-5-4-6-14-16(12)11(9-18-14)8-15(13)17-3/h4-7,9,13,15,17-18H,8H2,1-3H3/t13-,15-/m1/s1
InChIKey NGJMPUDCQIYVMS-UKRRQHHQSA-N
SMILES N1C2=C3C(=CC=C2)[C@@H](C=C(C)C)[C@@H](CC3=C1)NC
Metabolite of Species Details
Claviceps (NCBI:txid5110) 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 6,7-seco-Agroclavine (CHEBI:226996) is a alkaloid (CHEBI:22315)
IUPAC Name
(4R,5R)-N-methyl-5-(2-methylprop-1-enyl)-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
Manual Xref Database
136632 ChemSpider
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