input word = C00050094

Metabolite InformationStructural formula
Name Esulatin B
(-)-Esulatin B
Formula C30H40O12
Mw 592.25197674
CAS RN 188640-75-7
C_ID C00050094 ,
InChIKey DHHVTLZJOAQUPG-SCULQQATNA-N
InChICode InChI=1S/C30H40O12/c1-15-11-12-28(8,9)23(36)13-22(38-17(3)31)16(2)25(39-18(4)32)24-27(40-19(5)33)29(10,41-20(6)34)14-30(24,26(15)37)42-21(7)35/h11-12,15,22,24-25,27H,2,13-14H2,1,3-10H3/b12-11-/t15-,22-,24+,25+,27-,29-,30-/m1/s1
SMILES C1(C(=O)C[C@H](C(=C)[C@@H]([C@@H]2[C@@](C(=O)[C@@H](/C=C\1)C)(C[C@@]([C@@H]2OC(=O)C)(C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia esula Ref.
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