input word = C00026991

Metabolite InformationStructural formula
Name (R)-Glucoisatisin
Glucoisatisin
Formula C21H26N2O12S2
Mw 562.09271577
CAS RN 398478-41-6
C_ID C00026991 ,
InChIKey NTDBYDWMVLRHLG-BXDOZXOKNA-N
InChICode InChI=1S/C21H26N2O12S2/c1-2-10(33-16(25)8-12-11-5-3-4-6-13(11)22-20(12)29)7-15(23-35-37(30,31)32)36-21-19(28)18(27)17(26)14(9-24)34-21/h2-6,10,12,14,17-19,21,24,26-28H,1,7-9H2,(H,22,29)(H,30,31,32)/b23-15+/t10-,12-,14-,17-,18+,19-,21+/m1/s1
SMILES C=C[C@H](C/C(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CC1C(=O)Nc2ccccc21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeIsatis tinctoria L Ref.
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