dhurrin
Chemical Formula:
C14H17NO7
Molecular Weight:
311.291 Daltons
Monoisotopic Mass:
311.1005019056 Daltons
SMILES:
C1(C=C(O)C=CC=1C(OC2(OC(CO)C(O)C(O)C(O)2))C#N)
InChI:
1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10-,11-,12+,13-,14-/m1/s1
InChIKey:
Synonyms
- (S)-4-hydroxymandelonitrile-β-D-glucoside
- β-D-glucopyranosyloxy-(S)-p-hydroxymandelonitrile
- p-hydroxy-S-mandelonitrile-β-D-glucopyranoside
Databases
MetaCyc:
CPD-1042
MetaboLights:
MTBLC27826
HMDB:
HMDB60471
ChemSpider:
141737
ChEBI:
27826
PubChem (CID):
161355
KEGG:
C05143
Seed:
cpd03062
MetaNetX:
MNXM3012