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=C1C2=CC(O)=C(O)C3=C2C(C(O)(C(OC4C(OC5=O)C(O1)C(OC(C6=CC(O)=C(O)C(O)=C6)=O)OC4COC(C7=C(C8=C5C=C(O)C(O)=C8O)C(O)=C(O)C(O)=C7)=O)=O)CC9O)C9(O)O3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeAcalypha hispida Ref.
PlantaeGeraniaceaePelargonium reniforme Ref.
PlantaeNymphaeaceaeNymphaea alba Ref.
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