input word = C00011910

Metabolite InformationStructural formula
Name Phyllanthoside
Formula C40H52O17
Mw 804.32045024
CAS RN 63166-73-4
C_ID C00011910 ,
InChIKey VOTNXJVGRXZYOA-GMFRRXKENA-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(34(53-23(5)42)31(45)21(3)51-38)55-37-32(46)33(52-22(4)41)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+/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](C)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.
PlantaePhyllanthaceaePhyllanthus brasiliensis Ref.
PlantaeProteaceaeMacadamia ternifolia Ref.
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