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.
zoom in



OrganismMacadamia ternifolia
ReferenceLadenburg, K. et al., JACS, 1936, 58, 1292-1294 (synth)