input word = C00035367

Metabolite InformationStructural formula
Name Phyllanthusiin B
Formula C41H30O28
Mw 970.09236038
CAS RN 142674-51-9
C_ID C00035367 ,
InChIKey FTMRULQWDFEAMK-UHFFFAOYNA-N
InChICode InChI=1S/C41H30O28/c42-12-1-8(2-13(43)23(12)49)35(57)69-39-33-32-29(68-40(61)41(62,6-18(47)48)22-21-11(38(60)67-33)5-16(46)26(52)30(21)65-31(22)34(55)56)17(64-39)7-63-36(58)9-3-14(44)24(50)27(53)19(9)20-10(37(59)66-32)4-15(45)25(51)28(20)54/h1-5,17,22,29,31-33,39,42-46,49-54,62H,6-7H2,(H,47,48)(H,55,56)/t17-,22+,29-,31+,32+,33-,39-,41-/m0/s1
SMILES O1C(=O)c2cc(c(c(c2c2c(C(=O)OC[C@@H]3O[C@H]([C@@H]4[C@H]1[C@H]3OC(=O)[C@](O)(CC(=O)O)[C@H]1[C@@H](Oc3c1c(cc(c3O)O)C(=O)O4)C(=O)O)OC(=O)c1cc(c(c(c1)O)O)O)cc(c(c2O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeNymphaeaceaeNymphaea alba Ref.
PlantaePhyllanthaceaePhyllanthus flexuosus Ref.
zoom in



OrganismNymphaea alba
ReferenceBakr, R. O. et al., BMC Comp. Alt. Med., 17, (2017), 52.