input word = C00039473

Metabolite InformationStructural formula
Name Itoside N
(+)-Itoside N
Formula C39H32O14
Mw 724.17920573
CAS RN 1016275-83-4
C_ID C00039473 ,
InChIKey FJUGWGGYGGSGCO-RXKXXXBTNA-N
InChICode InChI=1S/C39H32O14/c40-20-7-1-17(2-8-20)26-15-25(44)31-24(43)13-23(14-27(31)51-26)50-39-35(46)34(45)36-28(52-39)16-49-37(47)32-29(18-3-9-21(41)10-4-18)30(33(32)38(48)53-36)19-5-11-22(42)12-6-19/h1-15,28-30,32-36,39-43,45-46H,16H2/t28-,29-,30+,32+,33-,34+,35-,36+,39-/m1/s1
SMILES [C@@H]1([C@@H]([C@@H]([C@@H]2[C@H](O1)COC(=O)[C@@H]1[C@H](C(=O)O2)[C@H]([C@H]1c1ccc(cc1)O)c1ccc(cc1)O)O)O)Oc1cc2c(c(c1)O)c(=O)cc(o2)c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFlacourtiaceaeItoa orientalis Ref.
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