input word = C00059536

Metabolite InformationStructural formula
Name [1S-(1alpha,4aalpha,6alpha,7alpha,7aalpha)]-1-[[4-O-Acetyl-2-O-(3-hydroxybenzoyl)-beta-D-glucopyranosyl]oxy]-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methyl-cyclopenta[c]pyran-4-carboxylic acid, methyl ester
Formula C26H32O13
Mw 552.18429111
CAS RN 126767-89-3
C_ID C00059536
InChIKey LXDIJQSXQCZMRW-UHFFFAOYSA-N
InChICode InChI=1S/C26H32O13/c1-11-17(30)8-15-16(24(33)34-3)10-35-25(19(11)15)39-26-22(38-23(32)13-5-4-6-14(29)7-13)20(31)21(36-12(2)28)18(9-27)37-26/h4-7,10-11,15,17-22,25-27,29-31H,8-9H2,1-3H3
SMILES COC(=O)C1=COC(OC2OC(CO)C(OC(C)=O)C(O)C2OC(=O)c2cccc(O)c2)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/10.1016/0031-9422(90)85134-2