input word = C00063658

Metabolite InformationStructural formula
Name Borivilianoside A
Formula C56H94O27
Mw 1198.5982478
CAS RN 1130229-72-9
C_ID C00063658
InChIKey GSEZEQCURJEOHO-QLNVCLFPSA-N
InChICode InChI=1S/C56H94O27/c1-21(19-73-49-42(68)40(66)37(63)31(16-57)77-49)8-13-56(72)22(2)34-30(83-56)15-28-26-7-6-24-14-25(9-11-54(24,4)27(26)10-12-55(28,34)5)76-53-48(82-51-43(69)39(65)35(61)23(3)75-51)44(70)46(33(18-59)79-53)80-52-45(71)47(38(64)32(17-58)78-52)81-50-41(67)36(62)29(60)20-74-50/h21-53,57-72H,6-20H2,1-5H3/t21-,22+,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-/m1/s1
SMILES CC(CCC1(O)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)COC1OC(CO)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnthericaceaeChlorophytum borivilianum Ref.
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OrganismChlorophytum borivilianum
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 1, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.