(Q105312517)

English

[(1R,2R,6S)-2-[2,6-dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-(2,4-dihydroxyphenyl)methanone

chemical compound

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instance of

type of chemical entity

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subclass of

[2-[2,6-Dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-(2,4-dihydroxyphenyl)methanone

1 reference

based on heuristic

inferred from SMILES

mass

580.173332476 dalton

1 reference

2 references

inferred from InChIKey

1 reference

C₃₄H₂₈O₉

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canonical SMILES

O=C(C1=CC=C(O)C=C1O)C2C(C=C(C)CC2C3=CC=C(O)C=C3O)C4=C(O)C=C(C=C4O)C=5OC=6C=C(O)C=CC6C5

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isomeric SMILES

CC1=C[C@@H](c2c(O)cc(-c3cc4ccc(O)cc4o3)cc2O)[C@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1

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found in taxon

Morus alba

1 reference

stated in

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

Morus lhou

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C34H28O9/c1-16-8-24(22-6-4-19(35)13-26(22)38)32(34(42)23-7-5-20(36)14-27(23)39)25(9-16)33-28(40)10-18(11-29(33)41)30-12-17-2-3-21(37)15-31(17)43-30/h2-7,9-15,24-25,32,35-41H,8H2,1H3/t24-,25-,32-/m1/s1

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InChIKey

WTGKDESIYCVAOP-NCLPYWGKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WTGKDESIYCVAOP-NCLPYWGKSA-N

(Q105312517)

[(1R,2R,6S)-2-[2,6-dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-(2,4-dihydroxyphenyl)methanone

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