input word = C00031995

Metabolite InformationStructural formula
Name Mallophenol A
(+)-Mallophenol A
Formula C23H26O13
Mw 510.13734092
CAS RN 752252-70-3
C_ID C00031995 ,
InChIKey AKCZTYUUVZJONY-IEUMSYKQNA-N
InChICode InChI=1S/C23H26O13/c1-32-14-6-9(2-3-11(14)25)20-15(7-24)34-23-21(36-20)19(30)18(29)16(35-23)8-33-22(31)10-4-12(26)17(28)13(27)5-10/h2-6,15-16,18-21,23-30H,7-8H2,1H3/t15-,16+,18+,19-,20-,21+,23+/m0/s1
SMILES [C@@H]1([C@@H](O[C@H]2[C@H](O1)O[C@@H]([C@H]([C@@H]2O)O)COC(=O)c1cc(c(c(c1)O)O)O)c1ccc(c(c1)OC)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeMallotus furetianus Ref.
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