input word = C00029540

Metabolite InformationStructural formula
Name 4-Caffeoylquinic acid
Cryptochlorogenic acid
4-O-Caffeoylquinic acid
Formula C16H18O9
Mw 354.09508217
CAS RN 905-99-7
C_ID C00029540 ,
InChIKey GYFFKZTYYAFCTR-PCEXOASVNA-N
InChICode InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1
SMILES O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFoeniculum vulgare Ref.
PlantaeAsteraceaeArtemisia annua Ref.
PlantaeAsteraceaeCynara scolymus Ref.
PlantaeAsteraceaeHelianthus annuus Ref.
PlantaeAsteraceaeHelianthus sp. Ref.
PlantaeAsteraceaeMatricaria recutita Ref.
PlantaeAsteraceaeSolidago altissima L. Ref.
PlantaeChloranthaceaeSarcandra glabra Ref.
PlantaeConvolvulaceaeIpomoea batatas Ref.
PlantaeFabaceaePisum sativum Ref.
PlantaeMoraceaeMorus alba Ref.
PlantaeMoringaceaeMoringa oleifera Ref.
PlantaeMoringaceaeMoringa peregrina Ref.
PlantaeMoringaceaeMoringa peregrine Ref.
PlantaeMoringaceaeMoringa stenopetala Ref.
PlantaeRosaceaeCydonia oblonga Ref.
PlantaeRosaceaeEriobotrya japonica Ref.
PlantaeRosaceaePrunus domestica Ref.
PlantaeRubiaceaeCoffea sp. Ref.
PlantaeSolanaceaeSolanum habrochaites Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
PlantaeSolanaceaeSolanum neorickii Ref.
PlantaeSolanaceaeSolanum parviflorum Ref.
PlantaeSolanaceaeSolanum pennellii Ref.
PlantaeSolanaceaeSolanum pimpinellifollium Ref.
PlantaeSolanaceaeSolanum tuberosum Ref.
--Caffea sp. Ref.
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OrganismSolanum habrochaites
ReferenceSchauer,FEBS Lett.,579,(2005),1332-1337