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.
PlantaeCaricaceaeCarica papaya Ref.
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeCornus officinalis Ref.
PlantaeCrassulaceaeRhodiola rosea L. Ref.
PlantaeCymodoceaceaeCymodocea nodosa Ref.
PlantaeCymodoceaceaeSyringodium filiforme Ref.
PlantaeFabaceaeTrifolium repens L. Ref.
PlantaeFumariaceaeFumaria capreolata Ref.
PlantaeFumariaceaeFumaria officinalis Ref.
PlantaeFumariaceaeFumaria schleicheri Ref.
PlantaeFumariaceaeFumaria vaillantii Ref.
PlantaeHydrocharitaceaeThalassia hemprichii Ref.
PlantaeLabiataeCunila angustifolia Ref.
PlantaeLabiataeLavandula angustifolia Ref.
PlantaeLabiataeOcimum basilicum Ref.
PlantaeLabiataeOrthosiphon stamineus Ref.
PlantaeLabiataeRosmarinus officinalis Ref.
PlantaeLauraceaeCinnamomum camphora Ref.
PlantaePlantaginaceaeVeronica spicata Ref.
PlantaePosidoniaceaePosidonia oceanica Ref.
PlantaeRutaceaeCitrus sinensis Ref.
PlantaeTheaceaeCamellia sinensis Ref.
PlantaeZingiberaceaeCurcuma mangga Ref.
--Caffea sp. Ref.
--Lavandin abrialis Ref.
--Spongiporus leucomallellus (Murril) Ref.
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