input word = C00059462

Metabolite InformationStructural formula
Name 1-Thio-beta-D-glucopyranose, 1-[5-(phenylmethoxy)-N-(sulfooxy)pentanimidate]
Formula C18H27NO10S2
Mw 481.10763755
CAS RN 1234465-57-6
C_ID C00059462
InChIKey RMUMSUKAZPWODR-LHKMKVQPSA-N
InChICode InChI=1S/C18H27NO10S2/c20-10-13-15(21)16(22)17(23)18(28-13)30-14(19-29-31(24,25)26)8-4-5-9-27-11-12-6-2-1-3-7-12/h1-3,6-7,13,15-18,20-23H,4-5,8-11H2,(H,24,25,26)/t13-,15-,16+,17-,18+/m1/s1
SMILES O=S(=O)(O)ON=C(CCCCOCc1ccccc1)SC1OC(CO)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
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