input word = C00034185

Metabolite InformationStructural formula
Name Quinic acid
Formula C7H12O6
Mw 192.06338812
CAS RN 36413-60-2
C_ID C00034185 ,
InChIKey AAWZDTNXLSGCEK-QLAIBGQYNA-N
InChICode InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5-,7-/m0/s1
SMILES [C@H]1([C@H]([C@H](C[C@@](C1)(O)C(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeApium graveolens Ref.
PlantaeApiaceaeFoeniculum vulgare Ref.
PlantaeAsteraceaeArtemisia annua Ref.
PlantaeAsteraceaeChamaemelum nobile Ref.
PlantaeAsteraceaeHelianthus annuus Ref.
PlantaeAsteraceaeMatricaria recutita Ref.
PlantaeCaricaceaeCarica papaya Ref.
PlantaeChloranthaceaeSarcandra glabra Ref.
PlantaeCombretaceaeTerminalia chebula Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeBrassica oleracea var. italica Ref.
PlantaeCruciferaeCapsella bursa-pastoris Ref.
PlantaeCruciferaeRaphanus sativus Ref.
PlantaeFabaceaeGlycine max Ref.
PlantaeFabaceaeLotus japonicus Ref.
PlantaeFabaceaePisum sativum Ref.
PlantaeGinkgoaceaeGinkgo biloba Ref.
PlantaeLabiataeRosmarinus officinalis Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeMagnoliaceaeMagnolia denudata Ref.
PlantaeMagnoliaceaeMagnolia liliiflora Ref.
PlantaeMoraceaeFicus carica Ref.
PlantaePoaceaeTriticum aestivum Ref.
PlantaeRosaceaePrunus avium Ref.
PlantaeRosaceaePrunus persica Ref.
PlantaeRosaceaeRosa rugosa Ref.
PlantaeRubiaceaeCinchona ledgariana Ref.
PlantaeRutaceaeCitrus limon Ref.
PlantaeRutaceaeCitrus natsudaidai Ref.
PlantaeRutaceaeCitrus unshiu Ref.
PlantaeSapotaceaeSebertia acuminata Ref.
PlantaeSolanaceaeNicotiana tabacum Ref.
PlantaeSolanaceaeSolanum habrochaites Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
PlantaeSolanaceaeSolanum neorickii Ref.
PlantaeSolanaceaeSolanum parviflorum Ref.
PlantaeSolanaceaeSolanum pennellii Ref.
PlantaeSolanaceaeSolanum pimpinellifollium Ref.
PlantaeSolanaceaeSolanum tuberosum Ref.
PlantaeTaxaceaeTaxus baccata Ref.
PlantaeUrticaceaeUrtica dioica Ref.
PlantaeVitaceaeVitis vinifera Ref.
--Caffea sp. Ref.
--Eucaliptus citriodora Ref.
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OrganismBrassica oleracea var. italica
ReferenceLiu, M. et al., Molecules, 23, (2018), 2304000