input word = C00051347

Metabolite InformationStructural formula
Name Lupulinoside
Formula C25H38O16
Mw 594.21598517
CAS RN 649761-59-1
C_ID C00051347
InChIKey YSJWHDZQHDVBNW-UXKXYEJONA-N
InChICode InChI=1S/C25H38O16/c1-9(28)41-25(2)5-4-10-11(21(34)35-3)8-36-22(14(10)25)40-24-20(18(32)16(30)13(7-27)38-24)39-23-19(33)17(31)15(29)12(6-26)37-23/h8,10,12-20,22-24,26-27,29-33H,4-7H2,1-3H3/t10-,12-,13-,14-,15-,16-,17+,18+,19-,20-,22+,23+,24+,25+/m1/s1
SMILES COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC[C@]2(C)OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeBarleria lupulina Ref.
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OrganismBarleria lupulina
ReferenceSuksamrarn, et al., Planta Med, 69, (2003), 877