input word = C00046301

Metabolite InformationStructural formula
Name Phyllanemblinin A
(-)-Phyllanemblinin A
Formula C27H20O17
Mw 616.07004922
CAS RN 393183-50-1
C_ID C00046301 ,
InChIKey ADCWWONRVSXNJV-YBZLVQBHNA-N
InChICode InChI=1S/C27H20O17/c28-5-13-20-19(36)23(27(40-13)44-24(37)6-1-9(29)16(33)10(30)2-6)43-26(39)8-4-12(32)18(35)22-15(8)14-7(25(38)42-20)3-11(31)17(34)21(14)41-22/h1-4,13,19-20,23,27-36H,5H2/t13-,19+,20-,23-,27+/m1/s1
SMILES O=C(O[C@@H]1O[C@H](CO)[C@H]2OC(=O)c3cc(O)c(O)c4oc5c(O)c(O)cc(c5c34)C(=O)O[C@@H]1C2O)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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