input word = C00045059

Metabolite InformationStructural formula
Name Sapintoxin B
Formula C30H37NO8
Mw 539.25191717
CAS RN 81345-29-1
C_ID C00045059 ,
InChIKey CUWDQBAYWDKQOB-YQQKMEJONA-N
InChICode InChI=1S/C30H37NO8/c1-14-11-19-22(23(14)34)24(35)17(13-32)12-20-25-28(4,5)30(25,39-16(3)33)26(15(2)29(19,20)37)38-27(36)18-9-7-8-10-21(18)31-6/h7-12,15,19-20,22,24-26,31-32,35,37H,13H2,1-6H3/t15-,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)CO)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-His
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeSapium indicum Ref.
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