input word = C00055396

Metabolite InformationStructural formula
Name Asparagoside H
Formula C56H94O28
Mw 1214.59316242
CAS RN 60267-28-9
C_ID C00055396
InChIKey SXCDJKBVZMMBQG-UHFFFAOYSA-N
InChICode InChI=1S/C56H94O28/c1-21(19-74-49-42(69)38(65)36(63)30(15-57)77-49)7-12-56(73)22(2)34-29(84-56)14-27-25-6-5-23-13-24(8-10-54(23,3)26(25)9-11-55(27,34)4)76-53-45(72)48(83-51-43(70)39(66)37(64)31(16-58)78-51)47(33(18-60)80-53)82-52-44(71)40(67)46(32(17-59)79-52)81-50-41(68)35(62)28(61)20-75-50/h21-53,57-73H,5-20H2,1-4H3
SMILES CC(COC1C(O)C(O)C(O)C(O1)CO)CCC2(O)C(C3C(O2)CC4C(C5CCC43C)CCC6CC(OC7C(O)C(OC8C(O)C(O)C(O)C(O8)CO)C(OC9C(O)C(O)C(OC%10C(O)C(O)C(O)CO%10)C(O9)CO)C(O7)CO)CCC65C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus officinalis Ref.
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