(Q104945892)

English

(5R)-5-[(2R,3R,4S,5S,6R)-3-[(2R,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-1,7-bis(4-hydroxyphenyl)heptan-3-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

biogenic alkylphenol

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mass

740.289150076 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₈O₁₇

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canonical SMILES

O=C(CCC1=CC=C(O)C=C1)CC(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2OC4OCC(O)(CO)C4O)CCC5=CC=C(O)C=C5

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isomeric SMILES

O=C(CCc1ccc(O)cc1)C[C@@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@H]1OC[C@@](O)(CO)[C@@H]1O

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found in taxon

Betula platyphylla

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stated in

Inhibition of antigen-induced degranulation by aryl compounds isolated from the bark of Betula platyphylla in RBL-2H3 cells

Identifiers

InChI

InChI=1S/C35H48O17/c36-15-34(45)17-48-32(29(34)43)47-14-25-26(41)27(42)28(52-33-30(44)35(46,16-37)18-49-33)31(51-25)50-24(12-6-20-3-9-22(39)10-4-20)13-23(40)11-5-19-1-7-21(38)8-2-19/h1-4,7-10,24-33,36-39,41-46H,5-6,11-18H2/t24-,25-,26-,27+,28-,29+,30-,31-,32-,33-,34-,35+/m1/s1

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InChIKey

BTVWDANIMYMMGY-RISIZWLVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BTVWDANIMYMMGY-RISIZWLVSA-N

1 reference

(Q104945892)

(5R)-5-[(2R,3R,4S,5S,6R)-3-[(2R,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-1,7-bis(4-hydroxyphenyl)heptan-3-one

Statements

Identifiers

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