input word = C00004400

Metabolite InformationStructural formula
Name Nepetin-7-glucoside
Nepitrin
6-Methoxyluteolin 7-glucoside
Nepetin 7-glucoside
Formula C22H22O12
Mw 478.11112617
CAS RN 569-90-4
C_ID C00004400 ,
InChIKey DMXHXBGUNHLMQO-JLXUOMDBNA-N
InChICode InChI=1S/C22H22O12/c1-31-21-14(33-22-20(30)19(29)17(27)15(7-23)34-22)6-13-16(18(21)28)11(26)5-12(32-13)8-2-3-9(24)10(25)4-8/h2-6,15,17,19-20,22-25,27-30H,7H2,1H3/t15-,17+,19-,20+,22+/m0/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O)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
PlantaeAsteraceaeCentaurea bracteata Scop. Ref.
PlantaeAsteraceaeInula britannica Ref.
PlantaeLabiataeNepeta hindostana Ref.
PlantaeLabiataeRosmarinus officinalis Ref.
PlantaeLabiataeSalvia lavandulaefolia Ref.
PlantaeLabiataeSalvia plebeia Ref.
PlantaeLabiataeSalvia tomentosa Ref.
PlantaeLabiataeSalvia triloba Ref.
PlantaePlantaginaceaePlantago major Ref.
PlantaeScrophulariaceaeScrophularia striata Ref.
PlantaeScrophulariaceaeScrophularia takesimensis Ref.
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