input word = C00002724

Metabolite InformationStructural formula
Name 3-O-Caffeoylquinic acid
Chlorogenic acid
Chlorogenate
Heriguard
Caffeoylquinic acid
Formula C16H18O9
Mw 354.09508217
CAS RN 327-97-9
C_ID C00002724 ,
InChIKey CWVRJTMFETXNAD-PCEXOASVNA-N
InChICode InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1
SMILES O[C@]1(C[C@H]([C@H]([C@@H](C1)OC(=O)/C=C/c1ccc(c(c1)O)O)O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAndrographis paniculata Ref.
PlantaeAdoxaceaeSambucus formosana Ref.
PlantaeAlliaceaeAllium Sativum Ref.
PlantaeAnacardiaceaeMangifera indica Ref.
PlantaeAnnonaceaeAnnona muricata Ref.
PlantaeApiaceaeAngelica furcijuga KITAGAWA Ref.
PlantaeApiaceaeChaerophyllum hirsutum Ref.
PlantaeApiaceaeDaucus carota Ref.
PlantaeApiaceaeFalcaria vulgaris Ref.
PlantaeApiaceaeGlehnia littoralis Ref.
PlantaeApocynaceaeMarsdenia cundurango Ref.
PlantaeApocynaceaeTrachelospermum asiaticum var.intermedium Ref.
PlantaeAsteraceaeAchillea millefolium Ref.
PlantaeAsteraceaeAnthemis altissima Ref.
PlantaeAsteraceaeArctium lappa Ref.
PlantaeAsteraceaeArnica montana cv.ARBO Ref.
PlantaeAsteraceaeArtemisia scoparia. Ref.
PlantaeAsteraceaeAster salignus Ref.
PlantaeAsteraceaeCentaurea gigantea Ref.
PlantaeAsteraceaeChrysanthemum indicum Ref.
PlantaeAsteraceaeChrysanthemum indicum L. Ref.
PlantaeAsteraceaeChrysanthemum morifolium Ref.
PlantaeAsteraceaeCirsium setosum Ref.
PlantaeAsteraceaeHelianthus annuus L.cv.Peredovick Ref.
PlantaeAsteraceaeInula britannica Ref.
PlantaeAsteraceaeLactuca indica Ref.
PlantaeAsteraceaeLeontodon autumnalis Ref.
PlantaeAsteraceaeMatricaria chamomilla Ref.
PlantaeAsteraceaeOnopordum acanthium Ref.
PlantaeAsteraceaePterocaulon virgatum Ref.
PlantaeAsteraceaeRhaponticum carthamoides Ref.
PlantaeAsteraceaeScorzonera divaricata Ref.
PlantaeAsteraceaeSenecio nemorensis Ref.
PlantaeAsteraceaeSolidago altissima L. Ref.
PlantaeAsteraceaeSolidago canadensis Ref.
PlantaeAsteraceaeTaraxacum formosanum Ref.
PlantaeAsteraceaeTaraxacum mongolicum Ref.
PlantaeAsteraceaeTaraxacum officinale Ref.
PlantaeBerberidaceaeEpimedium koreanum Ref.
PlantaeBerberidaceaeEpimedium sagittatum Ref.
PlantaeBlechnaceaeBlechnum orientale Ref.
PlantaeCannabaceaeHumulus lupulus Ref.
PlantaeCaprifoliaceae/Diervillaceae/Dipsacaceae/Linnaeaceae/ValerianaceaeLonicera confusa Ref.
PlantaeCaprifoliaceae/Diervillaceae/Dipsacaceae/Linnaeaceae/ValerianaceaeLonicera fulvotomentosa Ref.
PlantaeCaprifoliaceae/Diervillaceae/Dipsacaceae/Linnaeaceae/ValerianaceaeLonicera hypoglauca Ref.
PlantaeCaprifoliaceae/Diervillaceae/Dipsacaceae/Linnaeaceae/ValerianaceaeLonicera implexa Ref.
PlantaeCaprifoliaceae/Diervillaceae/Dipsacaceae/Linnaeaceae/ValerianaceaeLonicera japonica Ref.
PlantaeCaprifoliaceae/Diervillaceae/Dipsacaceae/Linnaeaceae/ValerianaceaeLonicera similis Ref.
PlantaeCaricaceaeCarica papaya Ref.
PlantaeChenopodiaceaeBeta vulgaris Ref.
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia jasminoides Ref.
PlantaeConvolvulaceaeErycibe schimidtii Ref.
PlantaeConvolvulaceaeIpomoea nil Ref.
PlantaeConvolvulaceaeIpomoea njil cv. Danjuro Ref.
PlantaeCruciferaeBrassica oleracea var.capitata Ref.
PlantaeCucurbitaceaeCitrullus colocynthis Ref.
PlantaeCucurbitaceaeMomordica charantia Ref.
PlantaeElaeagnaceaeHippophae rhamnoides Ref.
PlantaeEphedraceaeEphedra sinica Ref.
PlantaeEricaceaeRhododendron catawbiense Ref.
PlantaeEricaceaeRhododendron fortunei Ref.
PlantaeEricaceaeRhododendron insigne Ref.
PlantaeEricaceaeRhododendron kaempferi Ref.
PlantaeEricaceaeRhododendron micranthum Ref.
PlantaeEricaceaeRhododendron oreotrephes Ref.
PlantaeEricaceaeRhododendron ponticum Ref.
PlantaeEricaceaeRhododendron praevernum Ref.
PlantaeEucommiaceaeEucommia ulmoides Oliver Ref.
PlantaeFabaceaeAcacia nilotica Ref.
PlantaeFabaceaeMedicago sativa Ref.
PlantaeFabaceaePeltophorum africanum Ref.
PlantaeFabaceaeSophora flavescens Ref.
PlantaeFabaceaeTrifolium alpestre Ref.
PlantaeFabaceaeTrifolium medium Ref.
PlantaeFabaceaeTrifolium pratense L. Ref.
PlantaeHamamelidaceaeLoropetalum chinense Ref.
PlantaeHypericaceaeHypericum perforatum Ref.
PlantaeLabiataePhlomis brunneogaleata Ref.
PlantaeLabiataeSalvia albimaculata Ref.
PlantaeLabiataeSalvia horminum Ref.
PlantaeLabiataeSalvia officinalis L. Ref.
PlantaeLabiataeSalvia triloba Ref.
PlantaeLabiataeSatureja subspicata Ref.
PlantaeLabiataeSideritis catillaris Ref.
PlantaeLardizabalaceaeSargentodoxa cuneata Ref.
PlantaeLonganiaceaeStrychnos colubrina Ref.
PlantaeLonganiaceaeStrychnos lucida Ref.
PlantaeLonganiaceaeStrychnos nux-vomica Ref.
PlantaeLythraceaeLythrum salicaria Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeMagnoliaceaeMagnolia denudata Ref.
PlantaeMagnoliaceaeMagnolia liliiflora Ref.
PlantaeMalvaceaeGossypium barbadense Ref.
PlantaeMalvaceaeTheobroma cacao Ref.
PlantaeMoraceaeMorus alba Ref.
PlantaeMyrtaceaeEugenia jambolana Ref.
PlantaeOnocleaceae/DryopteridaceaeMatteuccia struthiopteris Ref.
PlantaePlantaginaceaePlantago bellardi Ref.
PlantaePlantaginaceaePlantago cretica Ref.
PlantaePlantaginaceaePlantago major Ref.
PlantaePolygonaceaeCalligonum leucocladum Ref.
PlantaePolygonaceaeFagopyrum cymosum Ref.
PlantaePolygonaceaePolygonum aviculare Ref.
PlantaePolygonaceaePolygonum bistorta Ref.
PlantaePolypodiaceaePolypodium vulgare Ref.
PlantaePolypodiaceaePyrrosia davidii Ref.
PlantaePolypodiaceaePyrrosia drakeana Ref.
PlantaePolypodiaceaePyrrosia gralla Ref.
PlantaePolypodiaceaePyrrosia lingua Ref.
PlantaePolypodiaceaePyrrosia petiolosa Ref.
PlantaePolypodiaceaePyrrosia pseudocalvata Ref.
PlantaePolypodiaceaePyrrosia sheareri Ref.
PlantaePosidoniaceaePosidonia oceanica Ref.
PlantaeRanunculaceae/HydrastidaceaeHydrastis canadensis Ref.
PlantaeResedaceaeReseda muricata C.Presl. Ref.
PlantaeRosaceaeCotoneaster simonsii Ref.
PlantaeRosaceaeCrataegus cuneata Ref.
PlantaeRosaceaeCrataegus oxyacantha Ref.
PlantaeRosaceaeCrataegus pinnatifida Ref.
PlantaeRosaceaeCrataegus pinnatifida var.major Ref.
PlantaeRosaceaeEriobotrya japonica Ref.
PlantaeRosaceaePrunus avium Ref.
PlantaeRosaceaePrunus cerasus Ref.
PlantaeRosaceaePrunus mume Ref.
PlantaeRubiaceaeAdina racemosa Ref.
PlantaeRubiaceaeCoffea arabica Ref.
PlantaeRubiaceaeGalium verum Ref.
PlantaeRubiaceaeOphiorrhiza liukiuensis Ref.
PlantaeRubiaceaeSinoadina racemosa Ref.
PlantaeRutaceaePhellodendron amurense Ref.
PlantaeRutaceaeZanthoxylum ailanthoides Ref.
PlantaeSapindaceaeDodonaea viscosa Ref.
PlantaeSaururaceaeHouttuynia cordata Ref.
PlantaeSaxifragaceaeSaxifraga azizoon Ref.
PlantaeSolanaceaeBrunfelsia grandiflora D.DON Ref.
PlantaeSolanaceaeMandragora autumnalis Ref.
PlantaeSolanaceaeNicotiana tabacum Ref.
PlantaeSolanaceaeSolanum acaule Ref.
PlantaeSolanaceaeSolanum bulbocastanum Ref.
PlantaeSolanaceaeSolanum canasense Ref.
PlantaeSolanaceaeSolanum cardiophyllum Ref.
PlantaeSolanaceaeSolanum chacoense Ref.
PlantaeSolanaceaeSolanum commersonii Ref.
PlantaeSolanaceaeSolanum fendleri Ref.
PlantaeSolanaceaeSolanum habrochaites Ref.
PlantaeSolanaceaeSolanum hougasii Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
PlantaeSolanaceaeSolanum multidissectum Ref.
PlantaeSolanaceaeSolanum neorickii Ref.
PlantaeSolanaceaeSolanum parviflorum Ref.
PlantaeSolanaceaeSolanum pennellii Ref.
PlantaeSolanaceaeSolanum phureja Ref.
PlantaeSolanaceaeSolanum pimpinellifollium Ref.
PlantaeSolanaceaeSolanum pinnacritisectum Ref.
PlantaeSolanaceaeSolanum stoloniferum Ref.
PlantaeSolanaceaeSolanum tarijense Ref.
PlantaeSolanaceaeSolanum tuberosum L. Ref.
PlantaeTheaceaeCamellia sinensis Ref.
PlantaeTheaceaeThea sinensis Ref.
PlantaeUrticaceaeUrtica dioica Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana jatamansii Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana prionophylla Ref.
PlantaeVerbenaceaeStachytarpheta jamaicensis Ref.
PlantaeZingiberaceaeEtlingera elatior Ref.
PlantaeZingiberaceaeZingiber officinale Ref.
--Apiaceae Ref.
--Paraburkholderia phymatum Ref.
--Platyphora ligata Ref.
--Stachytapheta jamaicensis Ref.
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