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 CNc1ccccc1C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3[C@H](O)C(C)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate L-His
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeSapium indicum Ref.
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OrganismSapium indicum
ReferenceChumkaew,J.Nat.Prod.,66,(2003),540