input word = C00056172

Metabolite InformationStructural formula
Name Thalassiolin B
Formula C22H22O14S
Mw 542.07302614
CAS RN 518057-59-5
C_ID C00056172
InChIKey UKJYXZRYJZSCBM-MIUGBVLSSA-N
InChICode InChI=1S/C22H22O14S/c1-32-15-4-9(2-3-11(15)24)14-7-13(26)18-12(25)5-10(6-16(18)34-14)33-22-21(36-37(29,30)31)20(28)19(27)17(8-23)35-22/h2-7,17,19-25,27-28H,8H2,1H3,(H,29,30,31)/t17-,19-,20+,21-,22-/m1/s1
SMILES COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OS(=O)(=O)O)cc3o2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHydrocharitaceaeThalassia hemprichii Ref.
PlantaeHydrocharitaceaeThalassia testudinum Ref.
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OrganismThalassia testudinum
ReferenceZidorn, C., Phytochemistry, 124, (2016), 5-28.