input word = C00036510

Metabolite InformationStructural formula
Name 3,12-Diacetyl-8-benzoylingol
(-)-3,12-Diacetyl-8-benzoylingol
Formula C31H38O9
Mw 554.25158281
CAS RN 124657-64-3
C_ID C00036510 ,
InChIKey YFWGIVSXYIAUNL-ZQKSDOSENA-N
InChICode InChI=1S/C31H38O9/c1-15-13-31-27(38-19(5)33)16(2)14-30(31,40-31)26(35)17(3)24(37-18(4)32)21-22(29(21,6)7)25(23(15)34)39-28(36)20-11-9-8-10-12-20/h8-13,16-17,21-25,27,34H,14H2,1-7H3/b15-13+/t16-,17+,21-,22+,23+,24-,25-,27-,30-,31-/m0/s1
SMILES CC(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(=O)c3ccccc3)[C@H](O)/C(C)=C/C34O[C@@]3(C[C@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia nivulia Ref.
zoom in