input word = C00059525

Metabolite InformationStructural formula
Name [1S-(1alpha,4aalpha,6alpha,7alpha,7aalpha)]-1,4a,5,6,7,7a-Hexahydro-6-hydroxy-1-[[4-O-(3-hydroxybenzoyl)-beta-D-glucopyranosyl]oxy]-7-methyl-cyclopenta[c]pyran-4-carboxylic acid, methyl ester
Formula C24H30O12
Mw 510.17372642
CAS RN 126431-36-5
C_ID C00059525
InChIKey WHKMGTMLDBTICD-UHFFFAOYSA-N
InChICode InChI=1S/C24H30O12/c1-10-15(27)7-13-14(22(31)32-2)9-33-23(17(10)13)36-24-19(29)18(28)20(16(8-25)34-24)35-21(30)11-4-3-5-12(26)6-11/h3-6,9-10,13,15-20,23-29H,7-8H2,1-2H3
SMILES COC(=O)C1=COC(OC2OC(CO)C(OC(=O)c3cccc(O)c3)C(O)C2O)C2C1CC(O)C2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana verna Ref.
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OrganismGentiana verna
Referencehttps://doi.org/10.1016/S0031-9422(00)98016-6