input word = C00036846

Metabolite InformationStructural formula
Name Buergeriside C1
Formula C16H20O7
Mw 324.12090299
CAS RN 163358-97-2
C_ID C00036846 ,
InChIKey OIVQXJWRPCWLAI-HZQWGKAMNA-N
InChICode InChI=1S/C16H20O7/c1-9-15(13(18)14(19)16(20)22-9)23-12(17)8-5-10-3-6-11(21-2)7-4-10/h3-9,13-16,18-20H,1-2H3/b8-5+/t9-,13-,14+,15-,16+/m0/s1
SMILES [C@H]1([C@H]([C@H]([C@@H](O[C@H]1C)O)O)O)OC(=O)/C=C/c1ccc(cc1)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia buergeriana MIQ Ref.
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