input word = C00013693

Metabolite InformationStructural formula
Name Nepetin 4'-glucoside
2-[4-(beta-D-Glucopyranosyloxy)-3-hydroxyphenyl]-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one
Formula C22H22O12
Mw 478.11112617
CAS RN 112208-83-0
C_ID C00013693 ,
InChIKey FKEFURJFBYTFMP-JLXUOMDBNA-N
InChICode InChI=1S/C22H22O12/c1-31-21-11(26)6-14-16(18(21)28)10(25)5-13(32-14)8-2-3-12(9(24)4-8)33-22-20(30)19(29)17(27)15(7-23)34-22/h2-6,15,17,19-20,22-24,26-30H,7H2,1H3/t15-,17+,19-,20-,22+/m0/s1
SMILES COc1c(O)cc2oc(-c3ccc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c(O)c3)cc(=O)c2c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCirsium oligophyllum Ref.
PlantaeLabiataeRosmarinus officinalis Ref.
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