input word = C00001542

Metabolite InformationStructural formula
Name Isatan B
Isotan B
Formula C14H15NO6
Mw 293.08993722
CAS RN 20307-14-6
C_ID C00001542 ,
InChIKey KGXOHVOUKNLUNP-WMLRJBABNA-N
InChICode InChI=1S/C14H15NO7/c16-6-14(20)12(18)10(17)11(22-14)13(19)21-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-12,15-18,20H,6H2/t10-,11-,12-,14+/m0/s1
SMILES c1ccc2c(c1)c(c[nH]2)OC(=O)[C@H]1O[C@]([C@H]([C@H]1O)O)(O)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeCruciferaeIsatis indigotica Ref.
PlantaeCruciferaeIsatis tinctoria Ref.
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