(Q105289959)

English

[(2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[2-[[6-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

668.158864184 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2-(3,4-Dihydroxyphenyl)-3-[[6-O-(2-O-acetyl-beta-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₂O₁₈

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canonical SMILES

O=C(OC1C(O)C(O)C(OC1OCC2OC(OC=3C(=O)C=4C(O)=CC(O)=CC4OC3C=5C=CC(O)=C(O)C5)C(O)C(O)C2O)CO)C

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isomeric SMILES

CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@H]1O

0 references

found in taxon

Paronychia argentea

1 reference

stated in

Secondary metabolites from Paronychia argentea

Identifiers

InChI

InChI=1S/C29H32O18/c1-9(31)43-27-23(40)19(36)16(7-30)45-29(27)42-8-17-20(37)22(39)24(41)28(46-17)47-26-21(38)18-14(35)5-11(32)6-15(18)44-25(26)10-2-3-12(33)13(34)4-10/h2-6,16-17,19-20,22-24,27-30,32-37,39-41H,7-8H2,1H3/t16-,17-,19-,20+,22+,23+,24-,27-,28+,29-/m1/s1

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InChIKey

VNVDVLIGXKINBU-VCIQGIGISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VNVDVLIGXKINBU-VCIQGIGISA-N

(Q105289959)

[(2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate

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