input word = C00041980

Metabolite InformationStructural formula
Name Zinagrandinolide C
(+)-Zinagrandinolide C
Formula C21H26O8
Mw 406.16276781
CAS RN 918792-05-9
C_ID C00041980 ,
InChIKey YLSANYPALPIPQU-SAXLJHNRNA-N
InChICode InChI=1S/C21H26O8/c1-8-21(7)14(10(2)9-22)15(28-19(25)20(5,6)26)13-11(3)18(24)29-17(21)16(13)27-12(4)23/h8-9,13-17,26H,1-3H2,4-7H3/t13-,14-,15-,16-,17-,21+/m0/s1
SMILES C1(=O)C(=C)[C@H]2[C@@H]([C@@H]([C@]([C@@H](O1)[C@H]2OC(=O)C)(C=C)C)C(=C)C=O)OC(=O)C(C)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeZinnia grandiflora Ref.
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