input word = C00063660

Metabolite InformationStructural formula
Name Borivilianoside D
Formula C56H92O27
Mw 1196.58259774
CAS RN 1130229-76-3
C_ID C00063660
InChIKey KSBXIGZXPUDOGY-RQOPBHGASA-N
InChICode InChI=1S/C56H92O27/c1-21(19-73-50-44(70)40(66)37(63)31(15-57)77-50)5-8-29-22(2)35-30(76-29)14-27-25-7-6-23-13-24(9-11-55(23,3)26(25)10-12-56(27,35)4)75-52-46(72)42(68)47(34(18-60)80-52)81-54-49(83-53-45(71)41(67)38(64)32(16-58)78-53)48(39(65)33(17-59)79-54)82-51-43(69)36(62)28(61)20-74-51/h21,23-28,30-54,57-72H,5-20H2,1-4H3/t21-,23+,24+,25-,26+,27+,28-,30+,31-,32-,33-,34-,35+,36+,37-,38-,39-,40+,41+,42-,43-,44-,45-,46-,47+,48+,49-,50-,51+,52-,53+,54+,55+,56+/m1/s1
SMILES CC1=C(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnthericaceaeChlorophytum borivilianum Ref.
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