input word = C00029277

Metabolite InformationStructural formula
Name (-)-4-O-galloylbergenin
Formula C21H20O13
Mw 480.09039073
CAS RN 82958-45-0
C_ID C00029277 ,
InChIKey QKSHSFQTWCKTFV-UHFFFAOYNA-N
InChICode InChI=1S/C21H20O13/c1-31-16-10(25)4-7-12(15(16)28)17-19(34-21(7)30)18(14(27)11(5-22)32-17)33-20(29)6-2-8(23)13(26)9(24)3-6/h2-4,11,14,17-19,22-28H,5H2,1H3/t11-,14-,17-,18+,19+/m0/s1
SMILES c1(c(cc2c(c1O)[C@H]1[C@@H](OC2=O)[C@@H]([C@H]([C@@H](O1)CO)O)OC(=O)c1cc(c(c(c1)O)O)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSaxifragaceaeRodgersia podophylla Ref.
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