input word = C00011914

Metabolite InformationStructural formula
Name Phyllanthostatin 6
Formula C36H48O16
Mw 736.29423549
CAS RN 132282-94-1
C_ID C00011914 ,
InChIKey JJJGFQQALVPPLB-URHMVTGUNA-N
InChICode InChI=1S/C36H48O16/c1-17-15-45-36(13-23(17)48-25(38)11-8-19-6-4-3-5-7-19)35(16-46-35)21-10-9-20(12-22(21)52-36)32(44)51-34-31(29(42)27(40)24(14-37)49-34)50-33-30(43)28(41)26(39)18(2)47-33/h3-8,11,17-18,20-24,26-31,33-34,37,39-43H,9-10,12-16H2,1-2H3/b11-8+/t17-,18+,20+,21+,22-,23-,24-,26+,27-,28-,29+,30+,31+,33+,34+,35+,36+/m1/s1
SMILES C1[C@@H]2[C@H](CC[C@@H]1C(=O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)[C@@]1([C@@]3(O2)C[C@H]([C@@H](CO3)C)OC(=O)/C=C/c2ccccc2)OC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus acuminatus Ref.
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