input word = C00006158

Metabolite InformationStructural formula
Name Orientin 6''-acetate
6''-O-Acetylorientin
Formula C23H22O12
Mw 490.11112617
CAS RN 112160-04-0
C_ID C00006158 ,
InChIKey NCIGKQNGSNDBBN-BFYGNSKJNA-N
InChICode InChI=1S/C23H22O12/c1-8(24)33-7-16-19(30)20(31)21(32)23(35-16)18-13(28)5-12(27)17-14(29)6-15(34-22(17)18)9-2-3-10(25)11(26)4-9/h2-6,16,19-21,23,25-28,30-32H,7H2,1H3/t16-,19+,20-,21+,23-/m0/s1
SMILES CC(=O)OC[C@@H]1O[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)C(O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDennstaedtiaceaeOdontosoria gymnogrammoides Ref.
PlantaeRanunculaceaeTrollius ledebouri Ref.
zoom in