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Details of Tetrahydroalstonine

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Role Analyte
nameTetrahydroalstonine
MPIMP IDA334008
isotopomerambient
formulaC21H24N2O3
molecular mass352.428
monoisotopic mass352.17869
InChIInChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16-,19-/m0/s1
InChIKeyGRTOGORTSDXSFK-DLLGKBFGSA-N
substructure TMS0
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)3,340.87
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27815b4d52-2710-4b1d-b671-7ccbd7ec8a81%27)

Synonyms of Tetrahydroalstonine

propertyvalue
CAS6474-90-4
ChEBI IDChEBI:622253
ChemSpider ID65280
PubChem CID72340
PubChem SID92298084
synonym3,4,5,6-tetrahydro-Alstonine
synonymB001059
synonymtetrahydroalstonine
8 synonym(s)

Metabolite mapped to Tetrahydroalstonine

Reference spectra of Tetrahydroalstonine

replicaentry datedetectionmethodspecies
17/19/2007 11:16:30 AM MDN35Reference Substance
27/19/2007 11:16:30 AM VAR5Reference Substance
2 spectrum(a)
compound timestamp information
deposited at 7/16/2007 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed at 8/11/2011 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Strehmel N., Hummel J.
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