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@H]12[C@]([C@H]3C(=C([C@H]([C@@H]([C@H]4[C@@H]3OC(=O)C4=C)OC(=O)/C(=C\C)/C)OC(=O)C)C)C1)(O2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBerlandiera subacaulis Ref.
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