input word = C00045058

Metabolite InformationStructural formula
Name Sapintoxin A
Formula C30H37NO7
Mw 523.25700254
CAS RN 79083-69-5
C_ID C00045058 ,
InChIKey KBSBUGUKMIUBEE-ZNTTVZODNA-N
InChICode InChI=1S/C30H37NO7/c1-15-11-21-20(24(15)34)12-18(14-32)13-22-25-28(4,5)30(25,38-17(3)33)26(16(2)29(21,22)36)37-27(35)19-9-7-8-10-23(19)31-6/h7-11,13,16,20-22,25-26,31-32,36H,12,14H2,1-6H3/t16-,20+,21+,22+,25-,26-,29-,30-/m1/s1
SMILES C1(=C[C@H]2[C@@H](C1=O)CC(=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)C
Start Substs in Alk. Biosynthesis (Prediction) L-His
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeSapium indicum Ref.
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OrganismSapium indicum
ReferenceChumkaew,J.Nat.Prod.,66,(2003),540