input word = C00056857

Metabolite InformationStructural formula
Name Rheinoside A
Formula C27H30O16
Mw 610.15338491
CAS RN 111545-28-9
C_ID C00056857
InChIKey OJZWDOKDQBCANR-UHFFFAOYSA-N
InChICode InChI=1S/C27H30O16/c28-6-13-17(31)20(34)22(36)24(41-13)27(40)9-2-1-3-12(42-26-23(37)21(35)18(32)14(7-29)43-26)16(9)19(33)15-10(27)4-8(25(38)39)5-11(15)30/h1-5,13-14,17-18,20-24,26,28-32,34-37,40H,6-7H2,(H,38,39)
SMILES O=C(O)c1cc(O)c2c(c1)C(O)(C1OC(CO)C(O)C(O)C1O)c1cccc(OC3OC(CO)C(O)C(O)C3O)c1C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRheum sp. Ref.
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