input word = C00019854

Metabolite InformationStructural formula
Name Edulisin III
Formula C21H24O7
Mw 388.15220312
CAS RN 158515-39-0
C_ID C00019854 ,
InChIKey UBLBUWKMSDCDLT-UHFFFAOYNA-N
InChICode InChI=1S/C21H24O7/c1-6-11(2)20(24)27-18-16-14(25-19(18)21(4,5)28-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h7-11,18-19H,6H2,1-5H3/t11-,18+,19-/m0/s1
SMILES c1cc2c(oc(=O)cc2)c2c1O[C@@H]([C@@H]2OC(=O)[C@H](CC)C)C(C)(C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica edulis Ref.
--Edulisin III Ref.
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OrganismEdulisin III
ReferenceMizuno,Planta Med.,60,(1994),333