input word = C00004109

Metabolite InformationStructural formula
Name Toringin
Formula C21H20O9
Mw 416.11073224
CAS RN 1329-10-8
C_ID C00004109 ,
InChIKey IRHAYEHCEVRWSB-OHPGNTIMNA-N
InChICode InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-8,16,18-23,25-27H,9H2/t16-,18-,19+,20-,21-/m1/s1
SMILES O=c1cc(-c2ccccc2)oc2cc(O)cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeOryza sativa Ref.
PlantaeRosaceaeDocyniopsis tschonoski Ref.
PlantaeRosaceaeDocyniopsis tschonoskii Ref.
PlantaeRosaceaeMalus spp. Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
PlantaeTaxaceaeTaxus chinensis Ref.
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