input word = C00056173

Metabolite InformationStructural formula
Name Thalassiolin C
Formula C21H20O13S
Mw 512.06246146
CAS RN 518057-56-2
C_ID C00056173
InChIKey JVXAACCAUUVSMP-QNDFHXLGSA-N
InChICode InChI=1S/C21H20O13S/c22-8-16-18(26)19(27)20(34-35(28,29)30)21(33-16)31-11-5-12(24)17-13(25)7-14(32-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-27H,8H2,(H,28,29,30)/t16-,18-,19+,20-,21-/m1/s1
SMILES O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OS(=O)(=O)O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHydrocharitaceaeThalassia testudinum Ref.
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OrganismThalassia testudinum
ReferenceZidorn, C., Phytochemistry, 124, (2016), 5-28.