input word = C00039470

Metabolite InformationStructural formula
Name Itoside K
(-)-Itoside K
Formula C26H34O15
Mw 586.18977042
CAS RN 1016275-80-1
C_ID C00039470 ,
InChIKey RFRZSWVFCKMECH-RXRKQLGINA-N
InChICode InChI=1S/C26H34O15/c27-7-12-6-16(39-26-24(37)22(35)20(33)18(9-29)41-26)11(5-14(12)31)3-10-4-13(30)1-2-15(10)38-25-23(36)21(34)19(32)17(8-28)40-25/h1-2,4-6,17-37H,3,7-9H2/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26-/m1/s1
SMILES c1c(c(cc(c1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)Cc1cc(ccc1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFlacourtiaceaeItoa orientalis Ref.
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