input word = C00058707

Metabolite InformationStructural formula
Name Robinioside H
Formula C54H88O23
Mw 1104.57163912
CAS RN 149664-96-0
C_ID C00058707
InChIKey OJBPCSLYFNCUJZ-UHFFFAOYSA-N
InChICode InChI=1S/C54H88O23/c1-22-31(58)34(61)39(66)45(70-22)74-30-18-49(3,20-56)17-25-24-9-10-28-51(5)13-12-29(52(6,21-57)27(51)11-14-54(28,8)53(24,7)16-15-50(25,30)4)73-48-43(38(65)37(64)41(75-48)44(68)69)77-47-42(36(63)33(60)26(19-55)72-47)76-46-40(67)35(62)32(59)23(2)71-46/h9,22-23,25-43,45-48,55-67H,10-21H2,1-8H3,(H,68,69)
SMILES CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(CO)CC(OC8OC(C)C(O)C(O)C8O)C7(C)CCC56C)C4(C)CO)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeRobinia pseudoacacia Ref.
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