input word = C00039209

Metabolite InformationStructural formula
Name Feruloylpodospermic acid B
Formula C35H36O15
Mw 696.20542048
CAS RN 944747-08-4
C_ID C00039209 ,
InChIKey CHVRYEGIZNIRGU-BKXXFZMFNA-N
InChICode InChI=1S/C35H36O15/c1-47-28-16-21(4-10-24(28)38)6-11-30(42)48-29-18-35(34(45)46,50-32(44)13-7-20-3-9-23(37)26(40)15-20)17-27(41)33(29)49-31(43)12-5-19-2-8-22(36)25(39)14-19/h2-4,6,8-11,14-16,27,29,33,36-41H,5,7,12-13,17-18H2,1H3,(H,45,46)/b11-6+/t27-,29-,33+,35-/m1/s1
SMILES COc1cc(/C=C/C(=O)O[C@@H]2C[C@@](OC(=O)CCc3ccc(O)c(O)c3)(C(=O)O)C[C@@H](O)[C@@H]2OC(=O)CCc2ccc(O)c(O)c2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeScorzonera divaricata Ref.
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