input word = C00049203

Metabolite InformationStructural formula
Name Lethedioside A
(-)-Lethedioside A
Formula C29H34O15
Mw 622.18977042
CAS RN 221289-31-2
C_ID C00049203 ,
InChIKey OQEZCWWFGXYLQY-JHGSDIGVNA-N
InChICode InChI=1S/C29H34O15/c1-37-13-7-19-22(14(30)9-17(42-19)12-4-5-16(38-2)18(6-12)39-3)20(8-13)43-29-27(36)25(34)24(33)21(44-29)11-41-28-26(35)23(32)15(31)10-40-28/h4-9,15,21,23-29,31-36H,10-11H2,1-3H3/t15-,21+,23-,24+,25-,26-,27+,28+,29-/m0/s1
SMILES COc1cc(OC2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)cc(-c3ccc(OC)c(OC)c3)oc2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeLethedon tannaensis Ref.
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