input word = C00011913

Metabolite InformationStructural formula
Name (+)-Phyllanthostatin 3
Phyllanthostatin 3
Formula C40H54O18
Mw 822.33101492
CAS RN 81558-17-0
C_ID C00011913 ,
InChIKey ACTIYDVAQBUQMP-BGMLDTQYNA-N
InChICode InChI=1S/C40H54O18/c1-19-17-50-40(16-28(19)55-29(44)14-11-24-9-7-6-8-10-24)39(49,18-41)26-13-12-25(15-27(26)58-40)36(48)57-38-35(34(54-23(5)43)31(46)21(3)52-38)56-37-32(47)33(53-22(4)42)30(45)20(2)51-37/h6-11,14,19-21,25-28,30-35,37-38,41,45-47,49H,12-13,15-18H2,1-5H3/b14-11+/t19-,20-,21-,25+,26+,27-,28+,30-,31+,32-,33+,34-,35+,37+,38-,39+,40+/m0/s1
SMILES CC(=O)O[C@@H]1C(OC2O[C@@H](C)C(O)[C@@H](OC(C)=O)[C@@H]2O)[C@H](OC(=O)[C@@H]2CC[C@@H]3[C@H](C2)O[C@]2(C[C@@H](OC(=O)/C=C/c4ccccc4)[C@@H](C)CO2)[C@@]3(O)CO)OC(C)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus acuminatus Ref.
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