Ergotryptamine (CHEBI:211208)

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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	Ergotryptamine

ChEBI ID	CHEBI:211208

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H22N2O

Net Charge

Average Mass

258.365

Monoisotopic Mass

258.17321

InChI

InChI=1S/C16H22N2O/c1-16(2,19)9-7-12-5-4-6-14-15(12)13(11-18-14)8-10-17-3/h4-7,9,11,17-19H,8,10H2,1-3H3/b9-7+

InChIKey

QCWMNSFZHYEJJO-VQHVLOKHSA-N

SMILES

OC(/C=C/C1=C2C(NC=C2CCNC)=CC=C1)(C)C

Metabolite of Species	Details
Aspergillus nidulans (NCBI:txid162425)	See: PubMed

ChEBI Ontology
Outgoing	Ergotryptamine (CHEBI:211208) is a tryptamines (CHEBI:27162)

IUPAC Name

(E)-2-methyl-4-[3-[2-(methylamino)ethyl]-1H-indol-4-yl]but-3-en-2-ol