(Q105006912)

English

9-(1,3-benzodioxol-5-yl)-4-[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one

group of stereoisomers with the chemical formula C₃₃H₃₆O₁₆

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instance of

group of stereoisomers

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subclass of

arylnaphthalene-type lignan

1 reference

inferred from

arylnaphthalene-type lignan

mass

688.200335072 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₃H₃₆O₁₆

0 references

canonical SMILES

O=C1OCC=2C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=C5C=C(OC)C(OC)=CC5=C(C=6C=CC=7OCOC7C6)C12

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Identifiers

InChI

InChI=1S/C33H36O16/c1-12-29(48-33-27(38)25(36)24(35)21(9-34)47-33)26(37)28(39)32(46-12)49-30-15-8-19(42-3)18(41-2)7-14(15)22(23-16(30)10-43-31(23)40)13-4-5-17-20(6-13)45-11-44-17/h4-8,12,21,24-29,32-39H,9-11H2,1-3H3

0 references

InChIKey

GDROJZMLSNLPRF-UHFFFAOYSA-N

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PubChem CID

163048467

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GDROJZMLSNLPRF-UHFFFAOYSA-N

(Q105006912)

9-(1,3-benzodioxol-5-yl)-4-[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one

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