input word = C00041978

Metabolite InformationStructural formula
Name Zinagrandinolide A
(+)-Zinagrandinolide A
Formula C22H28O8
Mw 420.17841787
CAS RN 918792-01-5
C_ID C00041978 ,
InChIKey UGJQEYPUVSKREF-XUKIXPQQNA-N
InChICode InChI=1S/C22H28O9/c1-7-21(5,27)20(26)30-16-14-11(3)19(25)31-18(17(14)29-12(4)24)22(6,13-9-28-13)15(16)10(2)8-23/h8,13-18,27H,2-3,7,9H2,1,4-6H3/t13-,14-,15-,16-,17-,18-,21-,22-/m0/s1
SMILES C=C1C(=O)O[C@H]2C(OC(C)=O)[C@@H]1[C@H](OC(=O)C(C)(O)CC)[C@H](C(=C)C=O)[C@@]2(C)[C@@H]1CO1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeZinnia grandiflora Ref.
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