input word = C00060479

Metabolite InformationStructural formula
Name 4-O-Caffeoylshikimic acid
Formula C16H16O8
Mw 336.08451749
CAS RN 180842-65-3
C_ID C00060479
InChIKey VTURJKQJEXSKNY-GDDAOPKQSA-N
InChICode InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(21)24-15-12(19)6-9(16(22)23)7-13(15)20/h1-6,12-13,15,17-20H,7H2,(H,22,23)/b4-2+/t12-,13-,15-/m1/s1
SMILES O=C(C=Cc1ccc(O)c(O)c1)OC1C(O)C=C(C(=O)O)CC1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChloranthaceaeSarcandra glabra Ref.
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