input word = C00003492

Metabolite InformationStructural formula
Name Tinyatoxin
Formula C36H38O8
Mw 598.25666819
CAS RN 58821-95-7
C_ID C00003492 ,
InChIKey WWZMXEIBZCEIFB-DFGAOUSUNA-N
InChICode InChI=1S/C36H38O8/c1-21(2)34-17-23(4)36-28(32(34)42-35(43-34,44-36)19-25-8-6-5-7-9-25)15-26(18-33(40)29(36)14-22(3)31(33)39)20-41-30(38)16-24-10-12-27(37)13-11-24/h5-15,23,28-29,32,37,40H,1,16-20H2,2-4H3/t23-,28+,29+,32-,33-,34-,35+,36-/m1/s1
SMILES [C@H]12[C@](CC(=C[C@@H]3[C@@]41[C@@H](C[C@]1([C@@H]3O[C@@](O1)(O4)Cc1ccccc1)C(=C)C)C)COC(=O)Cc1ccc(cc1)O)(C(=O)C(=C2)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia lactea Ref.
PlantaeEuphorbiaceaeEuphorbia poisonii Ref.
PlantaeEuphorbiaceaeEuphorbia tirucalli Ref.
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OrganismEuphorbia lactea
ReferenceBaslas,Herba Hung.,75,(1986),49