input word = C00050095

Metabolite InformationStructural formula
Name Esulatin C
(+)-Esulatin C
Formula C36H50O17
Mw 754.30480017
CAS RN 188640-76-8
C_ID C00050095 ,
InChIKey YOZBARIOMMBYNL-LKGYSUKBNA-N
InChICode InChI=1S/C36H50O17/c1-15(2)32(44)50-27-16(3)26(46-18(5)37)24-29(48-20(7)39)34(13,51-22(9)41)14-35(24,52-23(10)42)36(45)17(4)25(43)30(53-36)33(11,12)31(49-21(8)40)28(27)47-19(6)38/h15,17,24,26-31,45H,3,14H2,1-2,4-13H3/t17-,24-,26-,27-,28+,29+,30+,31-,34+,35+,36+/m0/s1
SMILES C=C1C(OC(=O)C(C)C)C(OC(C)=O)C(OC(C)=O)C(C)(C)C2O[C@](O)(C(C)C2=O)[C@@]2(OC(C)=O)C[C@@](C)(OC(C)=O)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia esula Ref.
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