input word = C00002696

Metabolite InformationStructural formula
Name Filixic acid BBB
Formula C36H44O12
Mw 668.28327687
CAS RN 4482-83-1
C_ID C00002696 ,
InChIKey CBJLTLWLKQTVHD-UHFFFAOYSA-N
InChICode InChI=1S/C36H44O12/c1-8-11-20(37)23-27(41)16(14-18-29(43)24(21(38)12-9-2)33(47)35(4,5)31(18)45)26(40)17(28(23)42)15-19-30(44)25(22(39)13-10-3)34(48)36(6,7)32(19)46/h40-42,45-48H,8-15H2,1-7H3
SMILES C1(=C(C(=O)C(=C(C1(C)C)O)Cc1c(c(c(c(c1O)C(=O)CCC)O)CC1=C(C(C(=C(C1=O)C(=O)CCC)O)(C)C)O)O)C(=O)CCC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDryopteridaceaeDryopteris filix-mas Ref.
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