(Q82896159)

English

7-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methoxychromen-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

biogenic coumarin

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mass

486.137340892 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₆O₁₃

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canonical SMILES

O=C1OC=2C=C(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)C(OC)=CC2C=C1

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Identifiers

InChI

InChI=1S/C21H26O13/c1-29-11-4-9-2-3-14(23)32-10(9)5-12(11)33-19-17(26)16(25)15(24)13(34-19)6-30-20-18(27)21(28,7-22)8-31-20/h2-5,13,15-20,22,24-28H,6-8H2,1H3

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InChIKey

DCERMUGUBKSKBM-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

DCERMUGUBKSKBM-UHFFFAOYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

DCERMUGUBKSKBM-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID201351446

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(Q82896159)

7-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methoxychromen-2-one

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