input word = C00054906

Metabolite InformationStructural formula
Name Capsicoside E1
Formula C56H92O28
Mw 1212.57751236
CAS RN 109575-83-9
C_ID C00054906
InChIKey RZEWAXXMZGDUBB-UHFFFAOYSA-N
InChICode InChI=1S/C56H92O28/c1-20-7-10-56(74-18-20)21(2)34-29(84-56)12-25-23-6-5-22-11-28(26(61)13-55(22,4)24(23)8-9-54(25,34)3)75-50-43(71)39(67)46(33(17-60)78-50)81-53-48(47(37(65)31(15-58)77-53)82-49-41(69)35(63)27(62)19-73-49)83-52-44(72)40(68)45(32(16-59)79-52)80-51-42(70)38(66)36(64)30(14-57)76-51/h20-53,57-72H,5-19H2,1-4H3
SMILES OC(C(CO)OC(OC1C(C(O)C(OC(CC(CCC2C3CCC4(C)C2CC5C4C(C)C6(OCC(C)CC6)O5)C3(C)C7)C7O)OC1CO)O)C8OC9C(O)C(O)C(OC%10C(O)C(O)C(O)C(CO)O%10)C(CO)O9)C8OC%11OCC(O)C(O)C%11O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum Ref.
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