input word = C00055399

Metabolite InformationStructural formula
Name 26-Desglucoavenacoside B
Formula C51H82O23
Mw 1062.52468893
CAS RN 59795-22-1
C_ID C00055399
InChIKey FIGFQPRWCDDAGD-UHFFFAOYSA-N
InChICode InChI=1S/C51H82O23/c1-20-31-27(73-51(20)13-12-48(3,19-55)74-51)15-26-24-7-6-22-14-23(8-10-49(22,4)25(24)9-11-50(26,31)5)66-47-43(39(63)41(30(18-54)69-47)70-44-37(61)35(59)32(56)21(2)65-44)72-46-40(64)42(34(58)29(17-53)68-46)71-45-38(62)36(60)33(57)28(16-52)67-45/h6,20-21,23-47,52-64H,7-19H2,1-5H3
SMILES CC1OC(OC2C(CO)OC(OC3CCC4(C)C(=CCC5C4CCC4(C)C5CC5OC6(CCC(C)(CO)O6)C(C)C54)C3)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeAvena sativa Ref.
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