input word = C00036843

Metabolite InformationStructural formula
Name Buergeriside A1
Formula C28H30O10
Mw 526.18389718
CAS RN 296759-85-8
C_ID C00036843 ,
InChIKey ODLWVJASYLYINB-PXOPOAERNA-N
InChICode InChI=1S/C28H30O10/c1-17-25(37-23(30)15-9-19-5-11-21(33-3)12-6-19)26(27(28(32)35-17)36-18(2)29)38-24(31)16-10-20-7-13-22(34-4)14-8-20/h5-17,25-28,32H,1-4H3/b15-9+,16-10+/t17-,25-,26-,27+,28+/m0/s1
SMILES COc1ccc(/C=C/C(=O)OC2[C@@H](OC(=O)/C=C/c3ccc(OC)cc3)[C@H](C)O[C@@H](O)[C@@H]2OC(C)=O)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