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
Plantae--Lonicera confusa Ref.
Plantae--Lonicera fulvotomentosa Ref.
Plantae--Lonicera hypoglauca Ref.
Plantae--Lonicera implexa Ref.
Plantae--Lonicera japonica Ref.
Plantae--Lonicera similis Ref.
PlantaeAcanthaceaeAndrographis paniculata Ref.
PlantaeAcanthaceaeStrobilanthes crispus Ref.
PlantaeAdoxaceaeSambucus formosana Ref.
PlantaeAlliaceaeAllium cepa Ref.
PlantaeAlliaceaeAllium obliquum Ref.
PlantaeAlliaceaeAllium sativum Ref.
PlantaeAlliaceaeAllium Sativum Ref.
PlantaeAnacardiaceaeMangifera indica Ref.
PlantaeAnnonaceaeAnnona muricata Ref.
PlantaeApiaceaeAngelica furcijuga KITAGAWA Ref.
PlantaeApiaceaeApium graveolens Ref.
PlantaeApiaceaeChaerophyllum hirsutum Ref.
PlantaeApiaceaeDaucus carota Ref.
PlantaeApiaceaeFalcaria vulgaris Ref.
PlantaeApiaceaeFoeniculum vulgare Ref.
PlantaeApiaceaeGlehnia littoralis Ref.
PlantaeApocynaceaeMarsdenia cundurango Ref.
PlantaeApocynaceaeNerium oleander Ref.
PlantaeApocynaceaeTrachelospermum asiaticum var.intermedium Ref.
PlantaeAsparagaceaeAsparagus officinalis Ref.
PlantaeAsteraceaeAchillea millefolium Ref.
PlantaeAsteraceaeAnthemis altissima Ref.
PlantaeAsteraceaeArctium lappa Ref.
PlantaeAsteraceaeArnica montana cv.ARBO Ref.
PlantaeAsteraceaeArtemisia annua Ref.
PlantaeAsteraceaeArtemisia capillaris Ref.
PlantaeAsteraceaeArtemisia herba-alba Ref.
PlantaeAsteraceaeArtemisia scoparia. Ref.
PlantaeAsteraceaeAster salignus Ref.
PlantaeAsteraceaeCentaurea gigantea Ref.
PlantaeAsteraceaeChamaemelum nobile 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.
PlantaeAsteraceaeMatricaria recutita 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.
PlantaeBoraginaceaeCordia macleodii Ref.
PlantaeCannabaceaeHumulus lupulus Ref.
PlantaeCaricaceaeCarica papaya Ref.
PlantaeCaryophyllalesBeta vulgaris Ref.
PlantaeChloranthaceaeSarcandra glabra Ref.
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia jasminoides Ref.
PlantaeCommelinaceaeCommelina communis Ref.
PlantaeConvolvulaceaeErycibe schimidtii Ref.
PlantaeConvolvulaceaeIpomoea nil Ref.
PlantaeConvolvulaceaeIpomoea njil cv. Danjuro Ref.
PlantaeCruciferaeBrassica oleracea var.capitata Ref.
PlantaeCruciferaeRaphanus sativus 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.
PlantaeEricaceaeRhododendron sp. Ref.
PlantaeEucommiaceaeEucommia ulmoides Oliver Ref.
PlantaeFabaceaeAcacia nilotica Ref.
PlantaeFabaceaeGlycine max Ref.
PlantaeFabaceaeMedicago sativa Ref.
PlantaeFabaceaePeltophorum africanum Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
PlantaeFabaceaePisum sativum Ref.
PlantaeFabaceaeSophora flavescens Ref.
PlantaeFabaceaeTrifolium alpestre Ref.
PlantaeFabaceaeTrifolium medium Ref.
PlantaeFabaceaeTrifolium pratense L. Ref.
PlantaeFumariaceaeFumaria capreolata Ref.
PlantaeFumariaceaeFumaria officinalis Ref.
PlantaeFumariaceaeFumaria schleicheri Ref.
PlantaeFumariaceaeFumaria vaillantii Ref.
PlantaeGinkgoaceaeGinkgo biloba Ref.
PlantaeHamamelidaceaeLoropetalum chinense Ref.
PlantaeHypericaceaeHypericum perforatum Ref.
PlantaeLabiataeOrthosiphon stamineus Ref.
PlantaeLabiataePhlomis brunneogaleata Ref.
PlantaeLabiataeSalvia albimaculata Ref.
PlantaeLabiataeSalvia horminum Ref.
PlantaeLabiataeSalvia officinalis L. Ref.
PlantaeLabiataeSalvia triloba Ref.
PlantaeLabiataeSatureja subspicata Ref.
PlantaeLabiataeSideritis catillaris Ref.
PlantaeLabiataeThymus capitatus Ref.
PlantaeLabiataeThymus comosus Ref.
PlantaeLabiataeThymus vulgaris 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.
PlantaeMeliaceaeToona ciliata Ref.
PlantaeMoraceaeMorus alba Ref.
PlantaeMoringaceaeMoringa oleifera Ref.
PlantaeMoringaceaeMoringa peregrine Ref.
PlantaeMoringaceaeMoringa stenopetala Ref.
PlantaeMusaceaeMusa acuminata Ref.
PlantaeMyrtaceaeEugenia jambolana Ref.
PlantaeOnocleaceae/DryopteridaceaeMatteuccia struthiopteris Ref.
PlantaePalmaeCocos nucifera Ref.
PlantaePhyllanthaceaePhyllanthus sellowianus Ref.
PlantaePinaceaePicea abies Ref.
PlantaePlantaginaceaePlantago bellardi Ref.
PlantaePlantaginaceaePlantago cretica Ref.
PlantaePlantaginaceaePlantago major Ref.
PlantaePlantaginaceaeVeronica montana Ref.
PlantaePlantaginaceaeVeronica officinalis Ref.
PlantaePlantaginaceaeVeronica orchidea Ref.
PlantaePlantaginaceaeVeronica polita Ref.
PlantaePlantaginaceaeVeronica spuria Ref.
PlantaePlantaginaceaeVeronica teucrium Ref.
PlantaePoaceaeCymbopogon citratus 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.
PlantaePrimulaceaePrimula veris 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.
PlantaeRubiaceaeMitragyna speciosa 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.
PlantaeSolanaceaeCapsicum annuum 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 nigrum 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.
PlantaeSolanaceaeWithania somnifera Ref.
PlantaeTheaceaeCamellia sinensis Ref.
PlantaeTheaceaeThea sinensis Ref.
PlantaeTurneraceaeTurnera ulmifolia Ref.
PlantaeUrticaceaeUrtica dioica Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana jatamansii Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana prionophylla Ref.
PlantaeVerbenaceaeStachytarpheta jamaicensis Ref.
PlantaeVerbenaceaeVerbena officinalis Ref.
PlantaeZingiberaceaeEtlingera elatior Ref.
PlantaeZingiberaceaeZingiber officinale Ref.
--Apiaceae Ref.
--Caffea sp. Ref.
--Paraburkholderia phymatum Ref.
--Platyphora ligata Ref.
--Stachytapheta jamaicensis Ref.
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OrganismDaucus carota
ReferenceJacobo-Velazquez, D. A. et al., Sci. Rep., 5, (2015), 8608.