(Q104938458)

English

4alpha,8-Dihydroxy-5-[[6-O-(3,5-dimethoxy-4-hydroxybenzoyl)-beta-D-glucopyranosyl]oxy]-3,4-dihydronaphthalene-1(2H)-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[6-[(4,8-dihydroxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

536.152990956 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₂₈O₁₃

0 references

canonical SMILES

O=C(OCC1OC(OC2=CC=C(O)C=3C(=O)CCC(O)C23)C(O)C(O)C1O)C4=CC(OC)=C(O)C(OC)=C4

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isomeric SMILES

COc1cc(C(=O)OC[C@H]2O[C@@H](Oc3ccc(O)c4c3[C@@H](O)CCC4=O)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O

0 references

found in taxon

Juglans mandshurica

2 references

stated in

Inhibition of human immunodeficiency virus type 1 reverse transcriptase and ribonuclease H activities by constituents of Juglans mandshurica

stated in

Cytotoxic compounds from the roots of Juglans mandshurica

Identifiers

InChI

InChI=1S/C25H28O13/c1-34-15-7-10(8-16(35-2)20(15)29)24(33)36-9-17-21(30)22(31)23(32)25(38-17)37-14-6-5-12(27)18-11(26)3-4-13(28)19(14)18/h5-8,13,17,21-23,25,27-32H,3-4,9H2,1-2H3/t13-,17+,21+,22-,23+,25+/m0/s1

0 references

InChIKey

BMMIPVIWXSFRLN-BAMUMMQISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BMMIPVIWXSFRLN-BAMUMMQISA-N

1 reference

(Q104938458)

4alpha,8-Dihydroxy-5-[[6-O-(3,5-dimethoxy-4-hydroxybenzoyl)-beta-D-glucopyranosyl]oxy]-3,4-dihydronaphthalene-1(2H)-one

Statements

Identifiers

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