input word = C00054145

Metabolite InformationStructural formula
Name 1,3-Dicaffeoylglycerol
Formula C21H20O9
Mw 416.11073224
CAS RN 123134-22-5
C_ID C00054145
InChIKey GCOCYKNNHZZJTR-FCXRPNKRSA-N
InChICode InChI=1S/C21H20O9/c22-15(11-29-20(27)7-3-13-1-5-16(23)18(25)9-13)12-30-21(28)8-4-14-2-6-17(24)19(26)10-14/h1-10,15,22-26H,11-12H2/b7-3+,8-4+
SMILES OC1=C(O)C=CC(/C=C/C(OCC(O)COC(/C=C/C2=CC=C(O)C(O)=C2)=O)=O)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBromeliaceaeAnanas comosus Ref.
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OrganismAnanas comosus
ReferenceAsakawa, Y. et al., Phytochemistry, 1977, 16, 1791-1795 (Lasiocarpins A-C)