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 c1c(c(c2c3c1C(=O)O[C@@H]1[C@H](O[C@H]([C@H](OC(=O)c4c3c(o2)c(c(c4)O)O)[C@H]1O)OC(=O)c1cc(c(c(c1)O)O)O)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus emblica Ref.
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