(Q105217497)

English

3-[(2S,3R,4S,5R,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

640.163949564 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₂O₁₇

0 references

canonical SMILES

O=C1C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)=C(OC4=CC(OC)=CC(O)=C14)C=5C=CC(O)=C(O)C5

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isomeric SMILES

COc1cc(O)c2c(=O)c(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@H]3O)c(-c3ccc(O)c(O)c3)oc2c1

0 references

found in taxon

Pteridium aquilinum

1 reference

stated in

Rhamnetin 3-O-laminaribioside from Pteridium aquilinum

Identifiers

InChI

InChI=1S/C28H32O17/c1-40-10-5-13(33)17-14(6-10)41-24(9-2-3-11(31)12(32)4-9)26(20(17)36)45-28-23(39)25(19(35)16(8-30)43-28)44-27-22(38)21(37)18(34)15(7-29)42-27/h2-6,15-16,18-19,21-23,25,27-35,37-39H,7-8H2,1H3/t15-,16+,18-,19-,21+,22+,23-,25+,27+,28+/m1/s1

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InChIKey

QAKZPBCOTDXPHA-NUBIQLDWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QAKZPBCOTDXPHA-NUBIQLDWSA-N

(Q105217497)

3-[(2S,3R,4S,5R,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one

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