input word = C00061136

Metabolite InformationStructural formula
Name 4-O-Feruloylquinic acid
Formula C17H20O9
Mw 368.11073224
CAS RN 2613-86-7
C_ID C00061136
InChIKey VTMFDSJJVNQXLT-XQCMRRNBSA-N
InChICode InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15?,17?/m1/s1
SMILES COc1cc(C=CC(=O)OC2C(O)CC(O)(C(=O)O)CC2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFoeniculum vulgare Ref.
PlantaeAsteraceaeArtemisia annua Ref.
PlantaeRutaceaePhellodendron amurense Ref.
PlantaeRutaceaeRuta graveolens Ref.
--Caffea sp. Ref.
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