3-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

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Molecule

3-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Chemical Information

14 Related Dataset(s) ⌄

Ouabain; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+

Ouabain; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+

Ouabain; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+

Ouabain; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+

Ouabain; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+

Ouabain; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV

Ouabain; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV

Ouabain; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV

Ouabain; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV

Ouabain; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV

Ouabain; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+

Ouabain; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+

Ouabain; LC-ESI-QTOF; MS; NEGATIVE

Ouabain; LC-ESI-QTOF; MS; POSITIVE

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol60007
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
DB01092	drugbank
LMST01120022	lipidmaps
OBN	rcsb_pdb
CHEMBL222863	chembl
15433	surechembl
439501	pubchem
5ACL011P69	fdasrs
OBN	pdbe
PD002643	probes_and_drugs
CALDAU	CCDC
866	brenda
CHEBI:472805	chebi
HMDB0015224	hmdb
Molport-003-938-921	molport
2004	drugcentral
50286739	bindingdb
The data in this table is sourced from UniChem at EBI.