input word = C00022322

Metabolite InformationStructural formula
Name Illurinic acid
Daniellic acid
Formula C20H28O3
Mw 316.20384476
CAS RN 1235-77-4
C_ID C00022322 ,
InChIKey ZQHJXKYYELWEOK-FTLAVVRGNA-N
InChICode InChI=1S/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17+,19-,20-/m1/s1
SMILES C1C[C@]([C@@H]2[C@](C1)([C@@H](C(=C)CC2)CCc1cocc1)C)(C(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeConyza schimperi Ref.
PlantaeFabaceaeDaniellia oliveri Ref.
PlantaePotamogetonaceaePotamogeton pectinatus Ref.
--Daniella ogea Ref.
--Daniella oliveri Ref.
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