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 COc1ccc(/C=C/C(=O)O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)O[C@H]2C)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia buergeriana MIQ Ref.
PlantaeScrophulariaceaeScrophularia huergeriana Ref.
PlantaeScrophulariaceaeScrophularia ningpoensis Ref.
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OrganismScrophularia buergeriana MIQ
ReferenceKim,Phytochem.,54,(2000),503