input word = C00037821

Metabolite InformationStructural formula
Name Sibirioside A
Formula C21H28O12
Mw 472.15807636
CAS RN 173046-19-0
C_ID C00037821 ,
InChIKey ASHAUBLELZYXKD-RRIVCGEYNA-N
InChICode InChI=1S/C21H28O12/c22-8-12-16(26)19(29)21(10-23,32-12)33-20-18(28)17(27)15(25)13(31-20)9-30-14(24)7-6-11-4-2-1-3-5-11/h1-7,12-13,15-20,22-23,25-29H,8-10H2/b7-6+/t12-,13-,15-,16-,17+,18-,19+,20-,21+/m1/s1
SMILES O=C(/C=C/c1ccccc1)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeVeronicastrum sibiricum Ref.
PlantaeScrophulariaceaeScrophularia ningpoensis Ref.
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