Glucobrassicin
group of stereoisomers with the chemical formula C₁₆H₂₀N₂O₉S₂
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Summary
Glucobrassicin is a group of stereoisomers[1].
Key Facts
- Glucobrassicin's instance of is recorded as group of stereoisomers[2].
- Glucobrassicin's canonical SMILES is recorded as O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CC2=CNC=3C=CC=CC32[3].
- Glucobrassicin's InChI is recorded as InChI=1S/C16H20N2O9S2/c19-7-11-13(20)14(21)15(22)16(26-11)28-12(18-27-29(23,24)25)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-22H,5,7H2,(H,23,24,25)/b18-12+[4].
- Glucobrassicin's InChIKey is recorded as DNDNWOWHUWNBCK-LDADJPATSA-N[5].
- Glucobrassicin's chemical formula is recorded as C₁₆H₂₀N₂O₉S₂[6].
- Glucobrassicin's subclass of is recorded as tryptamine alkaloid[7].
- Glucobrassicin's PubChem CID is recorded as 9601691[8].
- Glucobrassicin's found in taxon is recorded as Rorippa indica[9].
- Glucobrassicin's found in taxon is recorded as Brassica napobrassica[10].
- Glucobrassicin's found in taxon is recorded as Raphanus sativus[11].
- Glucobrassicin's found in taxon is recorded as Brassica oleracea[12].
- Glucobrassicin's found in taxon is recorded as Brassica rapa[13].
- Glucobrassicin's found in taxon is recorded as Tovaria pendula[14].
- Glucobrassicin's found in taxon is recorded as Rorippa dubia[15].
- Glucobrassicin's found in taxon is recorded as Brassica napus[16].
- Glucobrassicin's has characteristic is recorded as bitterness[17].
- Glucobrassicin's isomeric SMILES is recorded as O=S(=O)(O)O/N=C(\Cc1c[nH]c2ccccc12)SC1OC(CO)C(O)C(O)C1O[18].
- Glucobrassicin's Human Metabolome Database ID is recorded as HMDB0030243[19].
- Glucobrassicin's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+448.06102222'}[20].
- Glucobrassicin's SureChEMBL ID is recorded as 30530331[21].
- Glucobrassicin's MassBank accession ID is recorded as MSBNK-MPI_for_Chemical_Ecology-CE000581[22].
- Glucobrassicin's MassBank accession ID is recorded as MSBNK-MPI_for_Chemical_Ecology-CE000582[23].
- Glucobrassicin's MassBank accession ID is recorded as MSBNK-MPI_for_Chemical_Ecology-CE000583[24].
- Glucobrassicin's MassBank accession ID is recorded as MSBNK-MPI_for_Chemical_Ecology-CE000584[25].
- Glucobrassicin's MassBank accession ID is recorded as MSBNK-MPI_for_Chemical_Ecology-CE000585[26].