input word = C00034818

Metabolite InformationStructural formula
Name Cichoric acid
cis-Linalool oxide
Formula C22H18O12
Mw 474.07982604
CAS RN 6537-80-0
C_ID C00034818 ,
InChIKey YDDGKXBLOXEEMN-AWVUMMQMNA-N
InChICode InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1
SMILES c1(/C=C/C(=O)O[C@H]([C@@H](OC(=O)/C=C/c2ccc(c(c2)O)O)C(=O)O)C(=O)O)ccc(c(c1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeDittrichia graveolens Ref.
PlantaeCrassulaceaeRhodiola rosea L. Ref.
PlantaeCymodoceaceaeCymodocea nodosa Ref.
PlantaeCymodoceaceaeSyringodium filiforme Ref.
PlantaeFabaceaeTrifolium repens L. Ref.
PlantaeHydrocharitaceaeThalassia hemprichii Ref.
PlantaeLabiataeCunila angustifolia Ref.
PlantaeLabiataeLavandula angustifolia Ref.
PlantaeLabiataeOrthosiphon stamineus Ref.
PlantaePosidoniaceaePosidonia oceanica Ref.
PlantaeZingiberaceaeCurcuma mangga Ref.
--Lavandin abrialis Ref.
--Spongiporus leucomallellus (Murril) Ref.
zoom in