input word = C00059470

Metabolite InformationStructural formula
Name [S-[1alpha,4aalpha,5alpha(Z),7alpha,7aalpha]]-1,4a,5,6,7,7a-Hexahydro-7-hydroxy-5-[[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]-7-methylcyclopenta[c]pyran-1-yl-beta-D-glucopyranoside
Formula C25H32O12
Mw 524.18937649
CAS RN 124224-02-8
C_ID C00059470
InChIKey LOCASNZLOPRAJY-PNBMCZJKSA-N
InChICode InChI=1S/C25H32O12/c1-25(32)10-16(35-18(28)6-4-12-3-5-14(27)15(9-12)33-2)13-7-8-34-23(19(13)25)37-24-22(31)21(30)20(29)17(11-26)36-24/h3-9,13,16-17,19-24,26-27,29-32H,10-11H2,1-2H3/b6-4-/t13-,16+,17+,19+,20+,21-,22+,23-,24-,25-/m0/s1
SMILES COc1cc(C=CC(=O)OC2CC(C)(O)C3C(OC4OC(CO)C(O)C(O)C4O)OC=CC23)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
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