input word = C00011912

Metabolite InformationStructural formula
Name (+)-Phyllanthostatin 2
Phyllanthostatin 2
Formula C40H52O18
Mw 820.31536486
CAS RN 81558-18-1
C_ID C00011912 ,
InChIKey JPSGWRGLQYPUMR-GDBXYLPDNA-N
InChICode InChI=1S/C40H52O18/c1-19-17-49-40(15-27(19)54-29(44)13-10-23-8-6-5-7-9-23)39(18-50-39)25-12-11-24(14-26(25)58-40)36(48)57-38-35(34(53-22(4)43)31(46)28(16-41)55-38)56-37-32(47)33(52-21(3)42)30(45)20(2)51-37/h5-10,13,19-20,24-28,30-35,37-38,41,45-47H,11-12,14-18H2,1-4H3/b13-10+/t19-,20-,24+,25+,26-,27+,28+,30-,31+,32-,33+,34-,35+,37+,38+,39+,40+/m1/s1
SMILES CC(=O)O[C@@H]1C(O)[C@H](O[C@@H]2C(OC(=O)[C@H]3CC[C@H]4[C@@H](C3)O[C@@]3(C[C@H](OC(=O)/C=C/c5ccccc5)[C@H](C)CO3)[C@]43CO3)O[C@@H](CO)C(O)[C@H]2OC(C)=O)OC(C)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus acuminatus Ref.
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