input word = C00006351

Metabolite InformationStructural formula
Name Mollupentin 2''-O-rhamnoside
Formula C26H28O13
Mw 548.15299098
CAS RN 146177-28-8
C_ID C00006351 ,
InChIKey LLZRWOGJPVYDHM-OAXDOGEJNA-N
InChICode InChI=1S/C26H28O13/c1-9-19(32)21(34)22(35)26(37-9)39-25-20(33)15(31)8-36-24(25)18-13(29)6-12(28)17-14(30)7-16(38-23(17)18)10-2-4-11(27)5-3-10/h2-7,9,15,19-22,24-29,31-35H,8H2,1H3/t9-,15+,19-,20+,21+,22+,24+,25+,26-/m0/s1
SMILES c1(cc(c2c(c1[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)oc(cc2=O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeAllophylus edulis Ref.
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