input word = C00045551

Metabolite InformationStructural formula
Name 2'-O-Acetylfrangulin A
Formula C23H22O10
Mw 458.12129692
CAS RN 167696-55-1
C_ID C00045551 ,
InChIKey LIWXTCBUPGMGOH-UIYRHFKZNA-N
InChICode InChI=1S/C23H22O10/c1-8-4-12-16(14(25)5-8)20(29)17-13(19(12)28)6-11(7-15(17)26)33-23-22(32-10(3)24)21(30)18(27)9(2)31-23/h4-7,9,18,21-23,25-27,30H,1-3H3/t9-,18-,21+,22+,23-/m0/s1
SMILES CC(=O)O[C@H]1[C@H](Oc2cc(O)c3c(c2)C(=O)c2cc(C)cc(O)c2C3=O)O[C@@H](C)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeRhamnus nepalensis Ref.
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