input word = C00046852

Metabolite InformationStructural formula
Name Phyllaemblicin A
(+)-Phyllaemblicin A
Formula C27H34O14
Mw 582.1948558
CAS RN 307503-96-4
C_ID C00046852 ,
InChIKey VWVDXHBJGQKCJA-NIFUSOPZNA-N
InChICode InChI=1S/C27H34O14/c1-12-11-37-26(9-15(12)38-22(33)13-5-3-2-4-6-13)25(35)27(36)17(29)7-14(8-18(27)41-26)23(34)40-24-21(32)20(31)19(30)16(10-28)39-24/h2-6,12,14-21,24,28-32,36H,7-11H2,1H3/t12-,14+,15+,16-,17+,18-,19+,20+,21-,24+,26+,27-/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)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus emblica Ref.
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