(Q105386305)

English

(3R,4R)-4-[[3-[(1S,2R)-1,3-dihydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]propan-2-yl]-4-hydroxy-5-methoxyphenyl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

4-[[3-[1,3-Dihydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]propan-2-yl]-4-hydroxy-5-methoxyphenyl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

554.215197288 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₄O₁₀

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canonical SMILES

O=C1OCC(CC2=CC(OC)=C(O)C(=C2)C(CO)C(O)C3=CC=C(O)C(=C3)CO)C1CC4=CC=C(O)C(OC)=C4

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isomeric SMILES

COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2cc(OC)c(O)c([C@H](CO)[C@H](O)c3ccc(O)c(CO)c3)c2)ccc1O

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found in taxon

Arctium lappa

1 reference

stated in

Lignans from Arctium lappa and their inhibition of LPS-induced nitric oxide production

Identifiers

InChI

InChI=1S/C30H34O10/c1-38-26-10-16(3-5-25(26)34)8-21-20(15-40-30(21)37)7-17-9-22(29(36)27(11-17)39-2)23(14-32)28(35)18-4-6-24(33)19(12-18)13-31/h3-6,9-12,20-21,23,28,31-36H,7-8,13-15H2,1-2H3/t20-,21+,23-,28+/m0/s1

0 references

InChIKey

ZYOJOPBUBPCEAV-LYZVBOMBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZYOJOPBUBPCEAV-LYZVBOMBSA-N

(Q105386305)

(3R,4R)-4-[[3-[(1S,2R)-1,3-dihydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]propan-2-yl]-4-hydroxy-5-methoxyphenyl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

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