input word = C00063659

Metabolite InformationStructural formula
Name Borivilianoside B
Formula C57H96O27
Mw 1212.61389786
CAS RN 1130229-74-1
C_ID C00063659
InChIKey QYKRIWUBKQOWGI-SCQXWDMCSA-N
InChICode InChI=1S/C57H96O27/c1-22(20-74-50-43(69)41(67)38(64)32(17-58)78-50)9-14-57(73-6)23(2)35-31(84-57)16-29-27-8-7-25-15-26(10-12-55(25,4)28(27)11-13-56(29,35)5)77-54-49(83-52-44(70)40(66)36(62)24(3)76-52)45(71)47(34(19-60)80-54)81-53-46(72)48(39(65)33(18-59)79-53)82-51-42(68)37(63)30(61)21-75-51/h22-54,58-72H,7-21H2,1-6H3/t22-,23+,24+,25+,26+,27-,28+,29+,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+,57-/m1/s1
SMILES COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnthericaceaeChlorophytum borivilianum Ref.
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