(Q104976863)

English

9-(2H-1,3-benzodioxol-5-yl)-4-[(3,4-dimethoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6,7-dimethoxy-3H-naphtho[2,3-c]furan-1-one

group of stereoisomers with the chemical formula C₃₄H₃₈O₁₆

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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

702.2159851360002 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₄H₃₈O₁₆

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canonical SMILES

O=C1OCC=2C(OC3OCC(OC4OC(CO)C(O)C(O)C4O)C(OC)C3OC)=C5C=C(OC)C(OC)=CC5=C(C=6C=CC=7OCOC7C6)C12

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Identifiers

InChI

InChI=1S/C34H38O16/c1-40-19-8-15-16(9-20(19)41-2)29(17-11-44-32(39)25(17)24(15)14-5-6-18-21(7-14)47-13-46-18)50-34-31(43-4)30(42-3)23(12-45-34)49-33-28(38)27(37)26(36)22(10-35)48-33/h5-9,22-23,26-28,30-31,33-38H,10-13H2,1-4H3

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InChIKey

DDUSFSKGAHCYFG-UHFFFAOYSA-N

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PubChem CID

14825498

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

DDUSFSKGAHCYFG-UHFFFAOYSA-N

1 reference

Human Metabolome Database ID

HMDB0038929

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

DDUSFSKGAHCYFG-UHFFFAOYSA-N

(Q104976863)

9-(2H-1,3-benzodioxol-5-yl)-4-[(3,4-dimethoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6,7-dimethoxy-3H-naphtho[2,3-c]furan-1-one

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