input word = C00046854

Metabolite InformationStructural formula
Name Phyllaemblicin C
(+)-Phyllaemblicin C
Formula C38H52O23
Mw 876.28993797
CAS RN 307504-15-0
C_ID C00046854 ,
InChIKey HCXKFKSCJVCPEU-KBOHXUSFNA-N
InChICode InChI=1S/C38H52O23/c1-14-12-54-37(9-18(14)55-31(49)15-5-3-2-4-6-15)36(51)38(52)21(42)7-16(8-22(38)61-37)32(50)60-35-30(27(47)25(45)20(11-40)57-35)59-34-29(26(46)24(44)19(10-39)56-34)58-33-28(48)23(43)17(41)13-53-33/h2-6,14,16-30,33-35,39-48,52H,7-13H2,1H3/t14-,16+,17+,18+,19-,20-,21+,22-,23+,24-,25-,26+,27+,28-,29-,30-,33+,34+,35+,37+,38-/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)OC(=O)[C@@H]1C[C@@H]2[C@]([C@H](C1)O)(C(=O)[C@]1(O2)OC[C@H]([C@H](C1)OC(=O)c1ccccc1)C)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@H](O)[C@H]([C@H](CO1)O)O)O)O)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus emblica Ref.
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OrganismPhyllanthus emblica
ReferenceZhang,J.Nat.Prod.,63,(2000),1507