input word = C00012389

Metabolite InformationStructural formula
Name [3aR-(3aR*,5E,7R*,9Z,11aR*)]-2,3,3a,4,7,8,11,11a-Octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid
Formula C21H28O10
Mw 440.16824712
CAS RN 87741-70-6
C_ID C00012389 ,
InChIKey MUYHZEOCHWIVHX-KYWNGUNHNA-N
InChICode InChI=1S/C21H28O10/c1-9-3-5-12-10(2)19(27)29-14(12)7-11(4-6-13(9)23)20(28)31-21-18(26)17(25)16(24)15(8-22)30-21/h3-4,12-18,21-26H,2,5-8H2,1H3/b9-3+,11-4+/t12-,13+,14+,15-,16+,17+,18-,21+/m1/s1
SMILES [C@H]12[C@@H](OC(=O)C1=C)C/C(=C\C[C@@H](/C(=C/C2)/C)O)/C(=O)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
PlantaeAsteraceaePertya glabrescens Ref.
zoom in



OrganismPertya glabrescens
ReferenceNagumo,Chem.Pharm.Bull.,31,(1983),2302