(Q105022405)

English

(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-arylbenzofuran flavonoid

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2-[[6-[3-[2-(1,3-Benzodioxol-5-yl)-1-benzofuran-5-yl]propoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

620.210505832 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₆O₁₄

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canonical SMILES

OCC1OC(OCC2OC(OCCCC3=CC=C4OC(=CC4=C3)C=5C=CC=6OCOC6C5)C(O)C(O)C2O)C(O)C(O)C1O

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isomeric SMILES

OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OCCCc3ccc4oc(-c5ccc6c(c5)OCO6)cc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

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found in taxon

Styrax hookeri

1 reference

stated in

2-aryl benzofurans and their derivatives from seeds of Styrax macranthus

Identifiers

InChI

InChI=1S/C30H36O14/c31-11-21-23(32)25(34)28(37)30(43-21)39-12-22-24(33)26(35)27(36)29(44-22)38-7-1-2-14-3-5-17-16(8-14)10-19(42-17)15-4-6-18-20(9-15)41-13-40-18/h3-6,8-10,21-37H,1-2,7,11-13H2/t21-,22-,23-,24-,25+,26+,27-,28-,29-,30-/m1/s1

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InChIKey

GWICWFOGZOZWGY-OTJWROPPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GWICWFOGZOZWGY-OTJWROPPSA-N

1 reference

(Q105022405)

(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Statements

Identifiers

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