12alpha-Fumitremorgin C (CHEBI:182237)

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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	12alpha-Fumitremorgin C

ChEBI ID	CHEBI:182237

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H25N3O3

Net Charge

Average Mass

379.460

Monoisotopic Mass

379.18959

InChI

InChI=1S/C22H25N3O3/c1-12(2)9-18-20-15(14-7-6-13(28-3)10-16(14)23-20)11-19-21(26)24-8-4-5-17(24)22(27)25(18)19/h6-7,9-10,17-19,23H,4-5,8,11H2,1-3H3

InChIKey

DBEYVIGIPJSTOR-UHFFFAOYSA-N

SMILES

O=C1N2C(CC3=C(NC4=C3C=CC(OC)=C4)C2C=C(C)C)C(=O)N5C1CCC5

ChEBI Ontology
Outgoing	12alpha-Fumitremorgin C (CHEBI:182237) is a β-carbolines (CHEBI:60834)

IUPAC Name

7-methoxy-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-14,20-dione