input word = C00002720

Metabolite InformationStructural formula
Name 5-O-Caffeoylshikimic acid
Formula C16H16O8
Mw 336.08451749
CAS RN 73263-62-4
C_ID C00002720 ,
InChIKey QMPHZIPNNJOWQI-VQZIZUGNNA-N
InChICode InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-6,12-13,15,17-19,21H,7H2,(H,22,23)/b4-2+/t12-,13-,15-/m1/s1
SMILES C1(=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
PlantaeDennstaedtiaceaePteridium aquilinum Ref.
PlantaeLabiataePhlomis brunneogaleata Ref.
PlantaePalmaeButia capitata Ref.
PlantaePalmaePhoenix canariensis Ref.
PlantaePalmaePhoenix dactylifera Ref.
PlantaePinaceaeTsuga canadensis Ref.
PlantaeSmilacaceaeSmilax bracteata Ref.
PlantaeSmilacaceaeSmilax glabra Ref.
zoom in