input word = C00014106

Metabolite InformationStructural formula
Name Isoscoparin 2''-O-ferulate
Formula C32H30O14
Mw 638.16355567
CAS RN
C_ID C00014106 ,
InChIKey DHXHQFPPCWRLFJ-URYNRSAQNA-N
InChICode InChI=1S/C32H30O14/c1-42-21-9-14(3-6-16(21)34)4-8-25(38)46-32-30(41)28(39)24(13-33)45-31(32)27-19(37)12-23-26(29(27)40)18(36)11-20(44-23)15-5-7-17(35)22(10-15)43-2/h3-12,24,28,30-35,37,39-41H,13H2,1-2H3/b8-4+/t24-,28-,30+,31+,32-/m1/s1
SMILES COc1cc(/C=C/C(=O)OC2[C@@H](O)[C@H](O)C(CO)O[C@H]2c2c(O)cc3oc(-c4ccc(O)c(OC)c4)cc(=O)c3c2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeBryonia sp. Ref.
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