(Q105234179)

English

2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

group of stereoisomers with the chemical formula C₂₇H₃₁O₁₆⁺

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Statements

instance of

group of stereoisomers

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1 reference

611.16066133209 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₇H₃₁O₁₆⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

OC=1C=C(OC2OC(CO)C(O)C(O)C2O)C=3C=C(OC4OC(CO)C(O)C(O)C4O)C(=[O+]C3C1)C=5C=CC(O)=C(O)C5

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isomeric SMILES

OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)C(O)[C@@H]1O

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Identifiers

InChI

InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1/t17-,18-,19-,20-,21+,22?,23-,24-,26-,27-/m1/s1

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InChIKey

RDFLLVCQYHQOBU-DSJMKLIFSA-O

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PubChem CID

160592590

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

RDFLLVCQYHQOBU-DSJMKLIFSA-O

(Q105234179)

2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

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