input word = C00055262

Metabolite InformationStructural formula
Name Demethyloleuropein
Formula C24H30O13
Mw 526.16864105
CAS RN 52077-55-1
C_ID C00055262
InChIKey HKVGJQVJNQRJPO-VTDDDATNSA-N
InChICode InChI=1S/C24H30O13/c1-2-12-13(8-18(28)34-6-5-11-3-4-15(26)16(27)7-11)14(22(32)33)10-35-23(12)37-24-21(31)20(30)19(29)17(9-25)36-24/h2-4,7,10,13,17,19-21,23-27,29-31H,5-6,8-9H2,1H3,(H,32,33)/b12-2+/t13-,17+,19+,20-,21+,23-,24-/m0/s1
SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O[C@H]2/C([C@@H](C(C(O)=O)=CO2)CC(OCCC3=CC(O)=C(O)C=C3)=O)=C/C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeSyringa vulgaris Ref.
zoom in