input word = C00033798

Metabolite InformationStructural formula
Name Effuside I
Formula C24H30O8
Mw 446.19406794
CAS RN 169272-45-1
C_ID C00033798 ,
InChIKey WTQDTXUORVBHFF-AKLMAYQINA-N
InChICode InChI=1S/C24H30O8/c1-11-14-4-5-15-12(2)18(30-3)8-13(20(15)16(14)6-7-17(11)26)10-31-24-23(29)22(28)21(27)19(9-25)32-24/h6-8,19,21-29H,4-5,9-10H2,1-3H3/t19-,21-,22+,23-,24-/m1/s1
SMILES COc1cc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1C)CCc1c-2ccc(O)c1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeJuncaceaeJuncus effusus Ref.
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OrganismJuncus effusus
ReferenceKovacs,Phytochem.,69,(2008),1084