input word = C00008908

Metabolite InformationStructural formula
Name 7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan
Formula C21H22O5
Mw 354.14672381
CAS RN
C_ID C00008908 ,
InChIKey LSOMOCKNPBFMAK-FFXKXJTCNA-N
InChICode InChI=1S/C21H22O5/c1-21(2)9-8-14-18(26-21)11-17(24-3)15-10-16(23)19(25-20(14)15)12-4-6-13(22)7-5-12/h4-9,11,16,19,22-23H,10H2,1-3H3/t16-,19+/m0/s1
SMILES COc1cc2c(c3c1C[C@H](O)[C@@H](c1ccc(O)cc1)O3)C=CC(C)(C)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMarshallia tenuifolia Ref.
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