input word = C00012385

Metabolite InformationStructural formula
Name [3aR-(3aR*,5E,9Z,11aR*)]- 2,3,3a,4,7,8,11,11a-Octahydro-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid
Formula C21H28O9
Mw 424.17333249
CAS RN 87764-21-4
C_ID C00012385 ,
InChIKey FMHIVCVXNHXLSU-ITJVJEEBNA-N
InChICode InChI=1S/C21H28O9/c1-10-4-3-5-12(8-14-13(7-6-10)11(2)19(26)28-14)20(27)30-21-18(25)17(24)16(23)15(9-22)29-21/h5-6,13-18,21-25H,2-4,7-9H2,1H3/b10-6+,12-5+/t13-,14+,15+,16-,17-,18+,21-/m0/s1
SMILES [C@@H]12[C@H](OC(=O)C1=C)C/C(=C\CC/C(=C/C2)/C)/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.
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OrganismPertya glabrescens
ReferenceTsichritzis,Phytochem.,29,(1990),195