(6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-4-methyl-5,8-dioxo-7-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

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Molecule

(6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-4-methyl-5,8-dioxo-7-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

Chemical Information

5 Related Dataset(s) ⌄

Ergovaline; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+

Ergovaline; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+

Ergovaline; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+

Ergovaline; LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+

Ergovaline; LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol2499
Source
Alternate Name	Ergovaline 2873-38-3 UNII-059E2O9IV4 059E2O9IV4 (6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-4-methyl-5,8-dioxo-7-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide DTXSID10893243 12'-Hydroxy-2'-methyl-5'alpha-(1-methylethyl)-ergotaman-3',6',18-trione 12'-hydroxy-2'-methyl-5' alpha-(1-methylethyl)-ergotaman-3',6',18-trione Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(1-methylethyl)-, (5'alpha)- (6aR,9R)-N-((1S,2S,4R,7S)-2-hydroxy-4-methyl-5,8-dioxo-7-propan-2-yl-3-oxa-6,9-diazatricyclo(7.3.0.02,6)dodecan-4-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo(4,3-fg)quinoline-9-carboxamide N-(2-hydroxy-4-methyl-5,8-dioxo-7-(propan-2-yl)-3-oxa-6,9-diazatricyclo(7.3.0.02,6)dodecan-4-yl)-6-methyl-6,11-diazatetracyclo(7.6.1.02,7.012,16)hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide N-[2-hydroxy-4-methyl-5,8-dioxo-7-(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide DTXCID401323176 ERGOTAMAN-3',6',18-TRIONE, 12'-HYDROXY-2'-METHYL-5'-(1-METHYLETHYL)-, (5'.ALPHA.)-R ERGOTAMAN-3',6',18-TRIONE, 12'-HYDROXY-2'-METHYL-5'-(1-METHYLETHYL)-, (5'ALPHA)-R SCHEMBL14887086 CHEBI:184047 FE31073 NS00094895 Q5385834 (6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-4-methyl-5,8-dioxo-7-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-g]quinoline-9-carboxamide ERGOTAMAN-3',6',18-TRIONE, 12'-HYDROXY-2'-METHYL-5'-(1-METHYLETHYL)-, (5'.ALPHA.)- R

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
J554.832B	Nikkaji
DTXSID10893243	EPA CompTox Dashboard
ZINC000095803330	ZINC
CB61360082	ChemicalBook
104843	PubChem
184047	ChEBI
60034025	NMRShiftDB
SCHEMBL14887086	SureChEMBL
2873-38-3	ACToR
059E2O9IV4	FDA SRS
The data in this table is sourced from UniChem at EBI.