input word = C00056812

Metabolite InformationStructural formula
Name Phyllanthunin
Formula C32H30O23
Mw 782.11778727
CAS RN 1022998-88-4
C_ID C00056812
InChIKey FAUJRRCLMCLOFB-OBYRWVJUSA-N
InChICode InChI=1S/C32H30O23/c33-4-13-18-17(40)20(25(49-13)52-23(42)7-1-9(34)15(38)10(35)2-7)50-24(43)8-3-11(36)16(39)19-14(8)21-28(27(44)51-18)6-29(45)32(47,31(21,46)53-19)54-26(28)30(55-29)22(41)12(37)5-48-30/h1-3,12-13,17-18,20-22,25-26,33-41,45-47H,4-6H2/t12-,13-,17+,18-,20-,21-,22-,25+,26-,28-,29-,30-,31-,32?/m1/s1
SMILES O=C(O[C@@H]1O[C@H](CO)[C@H]2OC(=O)[C@@]34C[C@@]5(O)O[C@@]6(OC[C@@H](O)[C@H]6O)[C@@H]3O[C@@]5(O)[C@]3(O)Oc5c(O)c(O)cc(c5[C@H]43)C(=O)O[C@@H]1[C@H]2O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus emblica Ref.
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