(Q104992114)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

486.137340892 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₆O₁₃

0 references

canonical SMILES

O=C1OC=2C=C(OC3OC(COC4OC(CO)C(O)C4O)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]2O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O

0 references

found in taxon

Canthium berberidifolium

1 reference

stated in

Iridoid and phenolic diglycosides from Canthium berberidifolium

Catunaregam obovata

1 reference

stated in

A coumarin glucoside from xeromphis obovata

Catunaregam spinosa

1 reference

stated in

2D NMR Structure Elucidation of a New Coumarin Glycoside from Xeromphis spinosa

Identifiers

InChI

InChI=1S/C21H26O13/c1-29-10-4-8-2-3-14(23)31-9(8)5-11(10)32-21-19(28)17(26)16(25)13(34-21)7-30-20-18(27)15(24)12(6-22)33-20/h2-5,12-13,15-22,24-28H,6-7H2,1H3/t12-,13+,15+,16-,17+,18+,19+,20+,21-/m1/s1

0 references

InChIKey

DZYQXXKWKCRGAY-MPYVZBHFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DZYQXXKWKCRGAY-MPYVZBHFSA-N

1 reference

(Q104992114)

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

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Identifiers

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