input word = C00046305

Metabolite InformationStructural formula
Name Phyllanemblinin E
(-)-Phyllanemblinin E
Formula C27H26O20
Mw 670.10174328
CAS RN 393183-52-3
C_ID C00046305 ,
InChIKey USIIDHZUZNJCDA-WGOUGKLCNA-N
InChICode InChI=1S/C27H26O20/c28-5-12-21(19(37)20(38)27(44-12)47-24(41)6-1-9(29)16(34)10(30)2-6)45-26(43)8(4-13(32)33)15-14-7(3-11(31)17(35)18(14)36)25(42)46-22(15)23(39)40/h1-3,8,12,15,19-22,27-31,34-38H,4-5H2,(H,32,33)(H,39,40)/t8-,12+,15-,19+,20+,21+,22-,27-/m0/s1
SMILES [C@@H]1(OC(=O)c2c([C@@H]1[C@H](CC(=O)O)C(=O)O[C@H]1[C@H](O)[C@H]([C@@H](O[C@@H]1CO)OC(=O)c1cc(c(c(c1)O)O)O)O)c(c(c(c2)O)O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus emblica Ref.
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