input word = C00037335

Metabolite InformationStructural formula
Name Isooleuropein
Formula C25H32O13
Mw 540.18429111
CAS RN 108789-17-9
C_ID C00037335 ,
InChIKey DFPITMMSRVJLIR-DXNYSGJVNA-N
InChICode InChI=1S/C25H32O13/c1-3-13-14(9-19(29)34-2)15(23(33)35-7-6-12-4-5-16(27)17(28)8-12)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,14,18,20-22,24-28,30-32H,6-7,9-10H2,1-2H3/b13-3-/t14-,18-,20+,21-,22-,24-,25+/m0/s1
SMILES [C@@H]1(/C(=C\C)/[C@@H](C(=CO1)C(=O)OCCc1cc(c(cc1)O)O)CC(=O)OC)O[C@@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeSyringa afghanica Ref.
zoom in