input word = C00011911

Metabolite InformationStructural formula
Name Phyllanthostatin 1
(-)-Phyllanthostatin 1
Formula C40H52O17
Mw 804.32045024
CAS RN 82209-93-6
C_ID C00011911 ,
InChIKey QJTFVHQEZWKQOM-DXJQZOEINA-N
InChICode InChI=1S/C40H52O17/c1-19-17-48-40(16-28(19)54-29(43)14-11-24-9-7-6-8-10-24)39(18-49-39)26-13-12-25(15-27(26)57-40)36(47)56-38-35(31(45)33(21(3)51-38)52-22(4)41)55-37-32(46)34(53-23(5)42)30(44)20(2)50-37/h6-11,14,19-21,25-28,30-35,37-38,44-46H,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 C1[C@H]2[C@@H](CC[C@H]1C(=O)O[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)OC(=O)C)O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C)O)OC(=O)C)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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