input word = C00022446

Metabolite InformationStructural formula
Name Dendroidinic acid
Formula C25H38O4
Mw 402.2770097
CAS RN 63147-19-3
C_ID C00022446 ,
InChIKey LEMSFGHOXFQURQ-VXHQAHHDNA-N
InChICode InChI=1S/C25H38O4/c1-8-17(3)23(28)29-19-14-24(5,6)21-12-10-18(4)20(25(21,7)15-19)11-9-16(2)13-22(26)27/h8,10,13,19-21H,9,11-12,14-15H2,1-7H3,(H,26,27)/b16-13+,17-8-/t19-,20-,21-,25-/m1/s1
SMILES [C@H]1(CC([C@@H]2[C@](C1)([C@@H](C(=CC2)C)CC/C(=C/C(=O)O)/C)C)(C)C)OC(=O)/C(=C\C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAgeratina dendroides Ref.
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