input word = C00039208

Metabolite InformationStructural formula
Name Feruloylpodospermic acid A
Formula C35H36O15
Mw 696.20542048
CAS RN 944746-95-6
C_ID C00039208 ,
InChIKey XDEMNTIHYAATHM-ZIKMCJDRNA-N
InChICode InChI=1S/C35H36O15/c1-47-27-16-21(4-10-24(27)38)6-12-31(42)49-29-18-35(34(45)46,50-32(43)13-7-20-3-9-23(37)26(40)15-20)17-28(33(29)44)48-30(41)11-5-19-2-8-22(36)25(39)14-19/h2-4,6,8-10,12,14-16,28-29,33,36-40,44H,5,7,11,13,17-18H2,1H3,(H,45,46)/b12-6+/t28-,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](OC(=O)CCc3ccc(O)c(O)c3)[C@@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeScorzonera divaricata Ref.
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