input word = C00046302

Metabolite InformationStructural formula
Name Phyllanemblinin B
Formula C27H22O18
Mw 634.0806139
CAS RN 393529-35-6
C_ID C00046302 ,
InChIKey NJXCTOMVEYVVGG-UHFFFAOYNA-N
InChICode InChI=1S/C27H22O18/c28-5-13-22-21(38)23(27(42-13)45-24(39)6-1-9(29)16(33)10(30)2-6)44-26(41)8-4-12(32)18(35)20(37)15(8)14-7(25(40)43-22)3-11(31)17(34)19(14)36/h1-4,13,21-23,27-38H,5H2/t13-,21-,22-,23-,27-/m0/s1
SMILES O=C(OC1OC(CO)C2OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC1C2O)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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