input word = C00011749

Metabolite InformationStructural formula
Name Cordifolia P2
Formula C20H26O7
Mw 378.16785319
CAS RN 91161-84-1
C_ID C00011749 ,
InChIKey VTVUOBPOMRHXEC-CUPTXZKPNA-N
InChICode InChI=1S/C20H26O7/c1-6-9(2)17(22)24-12-8-20(5)15(26-20)11(21)7-19(4)16(27-19)14-13(12)10(3)18(23)25-14/h6,11-16,21H,3,7-8H2,1-2,4-5H3/b9-6-/t11-,12-,13+,14-,15+,16+,19+,20-/m0/s1
SMILES [C@@H]1(C[C@@]2([C@@H]([C@@H]3[C@@H]([C@H](C[C@]4([C@@H]1O4)C)OC(=O)/C(=C\C)/C)C(=C)C(=O)O3)O2)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeErlangea cordifolia Ref.
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OrganismErlangea cordifolia
ReferenceBegley,J.Chem.Soc.Perkin Trans.,1,(1984),819