input word = C00045060

Metabolite InformationStructural formula
Name Sapintoxin C
Formula C30H37NO7
Mw 523.25700254
CAS RN 81345-28-0
C_ID C00045060 ,
InChIKey KESIQXYRXFIECZ-CVIDEIRMNA-N
InChICode InChI=1S/C30H37NO7/c1-14-12-19-22(23(14)33)24(34)15(2)13-20-25-28(5,6)30(25,38-17(4)32)26(16(3)29(19,20)36)37-27(35)18-10-8-9-11-21(18)31-7/h8-13,16,19-20,22,24-26,31,34,36H,1-7H3/t16-,19+,20+,22+,24-,25-,26-,29+,30-/m1/s1
SMILES C1(=C[C@H]2[C@@H](C1=O)[C@@H](C(=C[C@@H]1[C@@]2([C@@H]([C@H]([C@@]2([C@H]1C2(C)C)OC(=O)C)OC(=O)c1c(NC)cccc1)C)O)C)O)C
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate L-His
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeSapium indicum Ref.
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