input word = C00011816

Metabolite InformationStructural formula
Name 8beta-(2-Methylbutanoyl)-14-hydroxy-1(10),4E,11(13)-germacratrien-12,6beta-olide
Formula C20H28O5
Mw 348.193674
CAS RN 90039-64-8
C_ID C00011816 ,
InChIKey QGIFBSJPTOTBPS-CZRXWOFHNA-N
InChICode InChI=1S/C20H30O5/c1-5-13(3)19(22)24-17-10-15(11-21)8-6-7-12(2)9-16-18(17)14(4)20(23)25-16/h8-9,13-14,16-18,21H,5-7,10-11H2,1-4H3/b12-9+,15-8-/t13-,14-,16+,17-,18+/m1/s1
SMILES C1C/C(=C/[C@H]2[C@@H]([C@@H](C/C(=C/1)/CO)OC(=O)[C@@H](CC)C)[C@H](C(=O)O2)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeWunderlichia mirabilis Ref.
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OrganismWunderlichia mirabilis
ReferenceBohlmann,Justus Liebigs Ann. Chem.,(1984),228