(Q105252592)

English

6-methoxy-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

6-Methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

1 reference

based on heuristic

inferred from SMILES

mass

354.095082156 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

6-methoxy-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

1 reference

based on heuristic

inferred from InChIKey

scopolin

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

6-methoxy-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

1 reference

based on heuristic

inferred from InChI

6-methoxy-7-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₆H₁₈O₉

0 references

canonical SMILES

O=C1OC=2C=C(OC3OC(CO)C(O)C(O)C3O)C(OC)=CC2C=C1

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isomeric SMILES

COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

0 references

found in taxon

Himalrandia tetrasperma

1 reference

stated in

Triterpenoid saponins from Randia uliginosa fruits

Identifiers

InChI

InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13+,14+,15-,16-/m1/s1

0 references

InChIKey

SGTCGCCQZOUMJJ-DZQJYWQESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SGTCGCCQZOUMJJ-DZQJYWQESA-N

(Q105252592)

6-methoxy-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

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