input word = C00056965

Metabolite InformationStructural formula
Name Quinoside A
Formula C53H86O23
Mw 1090.55598906
CAS RN 123597-11-5
C_ID C00056965
InChIKey UCOFFSFKNNIOHI-NGPMYKJHSA-N
InChICode InChI=1S/C53H86O23/c1-48(2)13-15-53(47(68)76-44-41(67)42(25(57)21-69-44)75-46-40(66)37(63)34(60)28(20-56)73-46)16-14-51(5)23(24(53)17-48)7-8-30-49(3)11-10-31(74-45-39(65)36(62)33(59)27(19-55)72-45)50(4,29(49)9-12-52(30,51)6)22-70-43-38(64)35(61)32(58)26(18-54)71-43/h7,24-46,54-67H,8-22H2,1-6H3/t24-,25-,26+,27+,28+,29+,30+,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42-,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1
SMILES CC1(C)CC[C@]2(C(O[C@@H]3OC[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)=O)CC[C@@]5(C)[C@]6(C)CC[C@@]7([H])[C@@](CO[C@H]8[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O8)(C)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O9)CC[C@]7(C)[C@@]6([H])CC=C5[C@]2([H])C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeChenopodium quinoa Ref.
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