(Q115952365)

English

7-(Acetylsulfanylmethyl)-5-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

group of stereoisomers with the chemical formula C₁₈H₂₄O₁₁S

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Statements

group of stereoisomers

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chemical compound

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448.103932588 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₂₄O₁₁S

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canonical SMILES

O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(=CC(O)C13)CSC(=O)C

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Paederia foetida

1 reference

Studies on monoterpene glucosides. VII. Iridoid glucosides of Paederia scandens

Paederia scandens

1 reference

Studies on monoterpene glucosides. VII. Iridoid glucosides of Paederia scandens

Identifiers

InChI=1S/C18H24O11S/c1-6(20)30-5-7-2-9(21)12-8(16(25)26)4-27-17(11(7)12)29-18-15(24)14(23)13(22)10(3-19)28-18/h2,4,9-15,17-19,21-24H,3,5H2,1H3,(H,25,26)

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CRJVVPAYWKCLHU-UHFFFAOYSA-N

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2 references

2 January 2023

based on heuristic

inferred from InChIKey

matched by identifier from

CRJVVPAYWKCLHU-UHFFFAOYSA-N

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