input word = C00007164

Metabolite InformationStructural formula
Name 8-Caffeoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin
Formula C24H18O7
Mw 418.10525293
CAS RN 73536-05-7
C_ID C00007164 ,
InChIKey CUIRGMIYSYUUIL-VQHVLOKHNA-N
InChICode InChI=1S/C24H18O7/c25-16-8-6-13(10-18(16)27)7-9-17(26)23-20(29)12-19(28)22-15(11-21(30)31-24(22)23)14-4-2-1-3-5-14/h1-10,12,15,25,27-29H,11H2/b9-7+/t15-/m1/s1
SMILES c1c(cc(c(c1)O)O)/C=C/C(=O)c1c2c(c(cc1O)O)[C@H](CC(=O)O2)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePteridaceaePityrogramma trifoliata Ref.
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