input word = C00057362

Metabolite InformationStructural formula
Name Phyllaemblicin D
Formula C21H34O13
Mw 494.19994117
CAS RN 354994-30-2
C_ID C00057362
InChIKey MKVQPLIMYJILBG-NBSHRHPWSA-N
InChICode InChI=1S/C21H34O13/c22-5-14-15(25)16(26)17(27)19(33-14)31-6-10-7-32-21(4-12(10)24)20(30,8-23)11-2-1-9(18(28)29)3-13(11)34-21/h9-17,19,22-27,30H,1-8H2,(H,28,29)/t9-,10+,11-,12-,13+,14+,15+,16-,17+,19+,20-,21-/m0/s1
SMILES OC([C@H]1CC[C@@]([C@@](O)(CO)[C@@]2(OC[C@@H](CO[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](O)C2)O4)([H])[C@@]4([H])C1)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus emblica Ref.
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