input word = C00020589

Metabolite InformationStructural formula
Name Berlandin
Formula C22H26O7
Mw 402.16785319
CAS RN 34829-00-0
C_ID C00020589 ,
InChIKey YGKNWHOLEYLNDE-CKJUBCDPNA-N
InChICode InChI=1S/C22H26O7/c1-7-9(2)20(24)28-19-15-11(4)21(25)27-18(15)16-13(8-14-22(16,6)29-14)10(3)17(19)26-12(5)23/h7,14-19H,4,8H2,1-3,5-6H3/b9-7-/t14-,15-,16+,17-,18+,19-,22-/m1/s1
SMILES C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C\C)[C@H](OC(C)=O)C(C)=C1C[C@H]3O[C@@]3(C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBerlandiera subacaulis Ref.
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OrganismBerlandiera subacaulis
ReferenceHerz,J. Org. Chem.,37,(1972),2532