input word = C00039468

Metabolite InformationStructural formula
Name Itoside I
(-)-Itoside I
Formula C18H26O11
Mw 418.14751167
CAS RN 960010-09-7
C_ID C00039468 ,
InChIKey ZMVYDQYHQHSHAJ-CZNWOBODNA-N
InChICode InChI=1S/C18H26O11/c1-7-11(20)13(22)15(24)17(27-7)26-6-10-12(21)14(23)16(25)18(29-10)28-9-5-3-2-4-8(9)19/h2-5,7,10-25H,6H2,1H3/t7-,10+,11-,12-,13+,14-,15+,16+,17+,18+/m0/s1
SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccccc3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFlacourtiaceaeItoa orientalis Ref.
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