input word = C00050093

Metabolite InformationStructural formula
Name Esulatin A
(-)-Esulatin A
Formula C36H50O16
Mw 738.30988555
CAS RN 188640-74-6
C_ID C00050093 ,
InChIKey QLMXVPKQTUZUIB-GUYOIHAGNA-N
InChICode InChI=1S/C36H50O16/c1-15(2)33(44)50-26-16(3)25(45-18(5)37)24-30(47-20(7)39)35(13,51-22(9)41)14-36(24,52-23(10)42)29(43)17(4)27-31(49-27)34(11,12)32(48-21(8)40)28(26)46-19(6)38/h15,17,24-28,30-32H,3,14H2,1-2,4-13H3/t17-,24+,25+,26+,27+,28-,30-,31-,32-,35-,36-/m1/s1
SMILES [C@@H]1(C(=C)[C@@H]([C@H]([C@H](C([C@H]2[C@H]([C@H](C(=O)[C@@]3([C@@H]1[C@H]([C@@](C3)(OC(=O)C)C)OC(=O)C)OC(=O)C)C)O2)(C)C)OC(=O)C)OC(=O)C)OC(=O)C(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia esula Ref.
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