input word = C00041979

Metabolite InformationStructural formula
Name Zinagrandinolide B
Formula C22H28O8
Mw 420.17841787
CAS RN 918792-03-7
C_ID C00041979 ,
InChIKey UWNPZJZWGPJILE-RAONZPJANA-N
InChICode InChI=1S/C22H28O8/c1-8-21(6)15(11(3)10-23)16(29-20(26)22(7,27)9-2)14-12(4)19(25)30-18(21)17(14)28-13(5)24/h8,10,14-18,27H,1,3-4,9H2,2,5-7H3/t14-,15-,16-,17-,18-,21+,22-/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@](CC)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeZinnia grandiflora Ref.
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