input word = C00036522

Metabolite InformationStructural formula
Name 3,7,12-Triacetyl-8-benzoylingol
Formula C33H40O10
Mw 596.2621475
CAS RN 462119-29-5
C_ID C00036522 ,
InChIKey VFPUAXFWMSVDLU-XFGPKUPKNA-N
InChICode InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(40-20(5)35)23-24(31(23,7)8)27(25(16)39-19(4)34)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18+,23-,24+,25+,26-,27-,29-,32-,33-/m0/s1
SMILES [C@H]12[C@H]([C@@H]([C@@H](/C(=C/[C@@]34[C@@](C(=O)[C@@H]([C@@H]1OC(=O)C)C)(C[C@@H]([C@@H]3OC(=O)C)C)O4)/C)OC(=O)C)OC(=O)c1ccccc1)C2(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia nivulia Ref.
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