(Q105217369)

English

2-(2,4-dihydroxyphenyl)-8-[(1S,5R,6S)-5-(2,4-dihydroxyphenyl)-6-(5-hydroxy-2,2-dimethylchromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one

chemical compound

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instance of

type of chemical entity

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subclass of

2-(2,4-Dihydroxyphenyl)-8-[5-(2,4-dihydroxyphenyl)-6-(5-hydroxy-2,2-dimethylchromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

758.272712164 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₅H₄₂O₁₁

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canonical SMILES

O=C1C2=C(O)C=C(O)C(=C2OC(C=3C=CC(O)=CC3O)=C1CC=C(C)C)C4C=C(C)CC(C5=CC=C(O)C=C5O)C4C(=O)C=6C=CC=7OC(C=CC7C6O)(C)C

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isomeric SMILES

CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c([C@H]3C=C(C)C[C@@H](c4ccc(O)cc4O)[C@@H]3C(=O)c3ccc4c(c3O)C=CC(C)(C)O4)c(O)cc(O)c2c1=O

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found in taxon

Morus alba

2 references

stated in

Absolute Configuration of Natural Diels-Alder Type Adducts from the Morus Root Bark

stated in

Kuwanon W, a natural Diels—Alder type adduct from the root bark of Morus lhou

Morus lhou

2 references

stated in

Absolute Configuration of Natural Diels-Alder Type Adducts from the Morus Root Bark

stated in

Kuwanon W, a natural Diels—Alder type adduct from the root bark of Morus lhou

Identifiers

InChI

InChI=1S/C45H42O11/c1-21(2)6-9-29-42(54)39-35(51)20-34(50)38(44(39)55-43(29)26-11-8-24(47)19-33(26)49)31-17-22(3)16-30(25-10-7-23(46)18-32(25)48)37(31)41(53)28-12-13-36-27(40(28)52)14-15-45(4,5)56-36/h6-8,10-15,17-20,30-31,37,46-52H,9,16H2,1-5H3/t30-,31-,37-/m0/s1

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InChIKey

QAFIXEVKRZHTEV-AJKBGCORSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QAFIXEVKRZHTEV-AJKBGCORSA-N

1 reference

(Q105217369)

2-(2,4-dihydroxyphenyl)-8-[(1S,5R,6S)-5-(2,4-dihydroxyphenyl)-6-(5-hydroxy-2,2-dimethylchromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one

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Identifiers

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