input word = C00050584

Metabolite InformationStructural formula
Name Ellagic acid-4-O-beta-D-xylopyranoside
Formula C19H14O12
Mw 434.04852591
CAS RN 139163-18-1
C_ID C00050584
InChIKey KNURQRIPZJJYQO-PJIMMEPBSA-N
InChICode InChI=1S/C19H14O12/c20-6-1-4-9-10-5(18(27)30-15(9)12(6)23)2-8(13(24)16(10)31-17(4)26)29-19-14(25)11(22)7(21)3-28-19/h1-2,7,11,14,19-25H,3H2/t7-,11+,14-,19+/m1/s1
SMILES O=c1oc2c(O)c(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cc3c(=O)oc4c(O)c(O)cc1c4c23
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCunoniaceaeCunonia macrophylla Ref.
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OrganismCunonia macrophylla
ReferenceFogliani, et al., Phytochemistry, 66, (2005), 241.