input word = C00063748

Metabolite InformationStructural formula
Name 6'-O-Acetyl gentiopicroside
Formula C18H22O10
Mw 398.12129692
CAS RN 1264482-00-9
C_ID C00063748
InChIKey OVOZQKZLTLWRCL-UCIUYQPLSA-N
InChICode InChI=1S/C18H22O10/c1-3-9-10-4-5-24-16(23)11(10)6-26-17(9)28-18-15(22)14(21)13(20)12(27-18)7-25-8(2)19/h3-4,6,9,12-15,17-18,20-22H,1,5,7H2,2H3/t9-,12-,13-,14+,15-,17+,18+/m1/s1
SMILES C=CC1C2=CCOC(=O)C2=COC1OC1OC(COC(C)=O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana crassicaulis Ref.
PlantaeGentianaceaeGentiana dahurica Ref.
PlantaeGentianaceaeGentiana macrophylla Ref.
PlantaeGentianaceaeGentiana straminea Ref.
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