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 c1(cc(c2c(c1[C@@H]1O[C@H]([C@H]([C@@H]([C@H]1O)O)O)COC(=O)C)oc(cc2=O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDennstaedtiaceaeOdontosoria gymnogrammoides Ref.
PlantaeRanunculaceaeTrollius ledebouri Ref.
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