input word = C00058233

Metabolite InformationStructural formula
Name 7-O-trans-Sinapoylisovitexin
Formula C32H30O14
Mw 638.16355567
CAS RN 862288-10-6
C_ID C00058233
InChIKey GKDNXBQBKUXXDE-PCKHUVAXSA-N
InChICode InChI=1S/C32H30O14/c1-42-21-9-14(10-22(43-2)27(21)37)3-8-24(36)45-20-12-19-25(17(35)11-18(44-19)15-4-6-16(34)7-5-15)29(39)26(20)32-31(41)30(40)28(38)23(13-33)46-32/h3-12,23,28,30-34,37-41H,13H2,1-2H3/b8-3+/t23-,28-,30+,31-,32+/m1/s1
SMILES COc1cc(/C=C/C(=O)Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBrassicaceaeWasabia japonica Ref.
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