input word = C00008742

Metabolite InformationStructural formula
Name 3,5,7,4'-Tetrahydroxy-8-methoxyflavanone 3-angelate
Formula C21H20O8
Mw 400.11581762
CAS RN 111514-45-5
C_ID C00008742 ,
InChIKey JBNBPQOSXSSECK-JWAIQRFQNA-N
InChICode InChI=1S/C21H20O8/c1-4-10(2)21(26)29-20-16(25)15-13(23)9-14(24)18(27-3)19(15)28-17(20)11-5-7-12(22)8-6-11/h4-9,17,20,22-24H,1-3H3/b10-4-/t17-,20-/m0/s1
SMILES c1c(c2c(c(c1O)OC)O[C@H]([C@H](C2=O)OC(=O)/C(=C\C)/C)c1ccc(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGeraea canescens Ref.
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