input word = C00036845

Metabolite InformationStructural formula
Name Buergeriside B2
Formula C18H22O8
Mw 366.13146768
CAS RN 296251-44-0
C_ID C00036845 ,
InChIKey IYUGFXZFXCANKO-AJARFFBLNA-N
InChICode InChI=1S/C18H22O8/c1-10-15(21)16(17(18(22)24-10)25-11(2)19)26-14(20)9-6-12-4-7-13(23-3)8-5-12/h4-10,15-18,21-22H,1-3H3/b9-6-/t10-,15-,16+,17+,18+/m0/s1
SMILES [C@@H]1([C@H]([C@@H](O[C@H]([C@@H]1O)C)O)OC(=O)C)OC(=O)/C=C\c1ccc(cc1)OC
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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