input word = C00007788

Metabolite InformationStructural formula
Name 3-Methoxycarbonylpropyl glucosinolate
Glucoerypestrin
Formula C12H21NO11S2
Mw 419.05560198
CAS RN 27303-29-3
C_ID C00007788 ,
InChIKey WHBSQLXMQPNRIX-VBJRQJNONA-N
InChICode InChI=1S/C12H21NO11S2/c1-22-8(15)4-2-3-7(13-24-26(19,20)21)25-12-11(18)10(17)9(16)6(5-14)23-12/h6,9-12,14,16-18H,2-5H2,1H3,(H,19,20,21)/b13-7-/t6-,9+,10+,11+,12+/m0/s1
SMILES COC(=O)CCC/C(=N/OS(=O)(=O)O)S[C@H]1OC(CO)[C@H](O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCruciferaeErysimum ochrolecum Ref.
PlantaeCruciferaeErysimum odoratum Ref.
PlantaeCruciferaeErysimum rupestre Ref.
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OrganismErysimum ochrolecum
ReferenceDanielak,Dissertions Pharm.Pharmacol.,21,(1969),563