(Q105204536)

English

2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one

group of stereoisomers with the chemical formula C₂₈H₃₂O₁₃

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Statements

instance of

group of stereoisomers

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subclass of

arylnaphthalene-type lignan

1 reference

inferred from

arylnaphthalene-type lignan

mass

576.1842910839997 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₂O₁₃

0 references

canonical SMILES

O=C1OCC2CC3=C(OC4OC(CO)C(O)C(O)C4O)C=5OCOC5C=C3C(C6=CC(OC)=C(OC)C(OC)=C6)C12

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Identifiers

InChI

InChI=1S/C28H32O13/c1-34-15-5-11(6-16(35-2)25(15)36-3)19-13-7-17-26(39-10-38-17)24(14(13)4-12-9-37-27(33)20(12)19)41-28-23(32)22(31)21(30)18(8-29)40-28/h5-7,12,18-23,28-32H,4,8-10H2,1-3H3

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InChIKey

PAIASCMUTMHGHU-UHFFFAOYSA-N

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PubChem CID

2364

1 reference

matched by identifier from

InChIKey

PAIASCMUTMHGHU-UHFFFAOYSA-N

ChEBI ID

181373

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C28H32O13/c1-34-15-5-11(6-16(35-2)25(15)36-3)19-13-7-17-26(39-10-38-17)24(14(13)4-12-9-37-27(33)20(12)19)41-28-23(32)22(31)21(30)18(8-29)40-28/h5-7,12,18-23,28-32H,4,8-10H2,1-3H3

(Q105204536)

2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one

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