input word = C00046289

Metabolite InformationStructural formula
Name Pedilstatin
Formula C30H40O7
Mw 512.27740363
CAS RN 463962-50-7
C_ID C00046289 ,
InChIKey ALKHEZOKTHCOBM-RKAVRUJWNA-N
InChICode InChI=1S/C30H40O7/c1-7-8-9-10-11-12-24(33)36-27-18(3)29(35)22-13-17(2)25(34)21(22)14-20(16-31)15-23(29)26-28(5,6)30(26,27)37-19(4)32/h9-13,15,18,21-23,26-27,31,35H,7-8,14,16H2,1-6H3/b10-9+,12-11-/t18-,21-,22+,23+,26-,27-,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)/C=C\C=C\CCC)C)O)CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaePedilanthus sp. Ref.
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OrganismPedilanthus sp.
ReferencePettit,J.Nat.Prod.,65,(2002),1262