input word = C00013671

Metabolite InformationStructural formula
Name Thalassiolin A
Luteorin 7-(2''-sulfatoglucoside)
2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-[(2-O-sulfo-beta-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one
Formula C21H20O14S
Mw 528.05737608
CAS RN 207683-70-3
C_ID C00013671 ,
InChIKey RADMEXUHLCJBEW-OHPGNTIMNA-N
InChICode InChI=1S/C21H20O14S/c22-7-16-18(27)19(28)20(35-36(29,30)31)21(34-16)32-9-4-12(25)17-13(26)6-14(33-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-28H,7H2,(H,29,30,31)/t16-,18-,19+,20-,21-/m1/s1
SMILES O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3OS(=O)(=O)O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHydrocharitaceaeThalassia hemprichii Ref.
PlantaeHydrocharitaceaeThalassia testudinum Ref.
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