input word = C00041085

Metabolite InformationStructural formula
Name Phyllantusiin C
Phyllanthusiin C
Formula C40H30O26
Mw 926.10253114
CAS RN 142674-52-0
C_ID C00041085
InChIKey LCJOXNIMFDLZJH-UHFFFAOYSA-N
InChICode InChI=1S/C40H30O26/c41-12-1-8(2-13(42)22(12)47)33(53)65-37-31-30-28(64-38(57)39(58)6-18(46)40(59)32(39)21-11(36(56)63-31)5-16(45)25(50)29(21)66-40)17(61-37)7-60-34(54)9-3-14(43)23(48)26(51)19(9)20-10(35(55)62-30)4-15(44)24(49)27(20)52/h1-5,17-18,28,30-32,37,41-52,58-59H,6-7H2
SMILES O=C(OC1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC3C2OC(=O)C2(O)CC(O)C4(O)Oc5c(O)c(O)cc(c5C24)C(=O)OC13)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeAcalypha hispida Ref.
PlantaeGeraniaceaePelargonium reniforme Ref.
PlantaeNymphaeaceaeNymphaea alba Ref.
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OrganismNymphaea alba
ReferenceBakr, R. O. et al., BMC Comp. Alt. Med., 17, (2017), 52.