(Q105192206)

English

(2S,3S,4S,5R,6S)-6-[6-(5,7-dihydroxy-4-oxochromen-2-yl)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

chemical compound

In more languages

Statements

type of chemical entity

0 references

6-[6-(5,7-Dihydroxy-4-oxochromen-2-yl)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

478.074740636 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₁₈O₁₃

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canonical SMILES

O=C(O)C1OC(OC=2C(O)=C(O)C=CC2C=3OC=4C=C(O)C=C(O)C4C(=O)C3)C(O)C(O)C1O

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isomeric SMILES

O=C(O)[C@H]1O[C@@H](Oc2c(-c3cc(=O)c4c(O)cc(O)cc4o3)ccc(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O

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Melaleuca quinquenervia

1 reference

ChemInform Abstract: Flavonoids of Melaleuca quinquenervia.

Identifiers

InChI=1S/C21H18O13/c22-6-3-9(24)13-10(25)5-11(32-12(13)4-6)7-1-2-8(23)14(26)18(7)33-21-17(29)15(27)16(28)19(34-21)20(30)31/h1-5,15-17,19,21-24,26-29H,(H,30,31)/t15-,16-,17+,19-,21+/m0/s1

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OHQGSYHASOKDCF-BHWDSYMASA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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