(Q105164386)

English

(E)-1-[3-[(1R,5R,6S)-6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(3,5-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one

chemical compound

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instance of

type of chemical entity

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subclass of

1-[3-[6-[2,4-Dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(3,5-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one

1 reference

based on heuristic

inferred from SMILES

mass

678.246497416 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₃₈O₁₀

0 references

canonical SMILES

O=C(C=CC1=CC=C(O)C=C1O)C2=CC=C(O)C(=C2O)C3C=C(C)CC(C=4C=C(O)C=C(O)C4)C3C(=O)C5=CC=C(O)C(=C5O)CC=C(C)C

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isomeric SMILES

CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4O)c3O)C=C(C)C[C@H]2c2cc(O)cc(O)c2)c1O

0 references

found in taxon

Morus alba

1 reference

stated in

Kuwanon J, a new Diels-Alder adduct and chalcomoracin from callus culture of Morus alba L.

Identifiers

InChI

InChI=1S/C40H38O10/c1-20(2)4-8-27-33(45)12-10-29(38(27)48)40(50)36-30(23-16-25(42)18-26(43)17-23)14-21(3)15-31(36)37-34(46)13-9-28(39(37)49)32(44)11-6-22-5-7-24(41)19-35(22)47/h4-7,9-13,15-19,30-31,36,41-43,45-49H,8,14H2,1-3H3/b11-6+/t30-,31+,36-/m0/s1

0 references

InChIKey

MHXZHAMQKKJXSF-UOUXNYFZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MHXZHAMQKKJXSF-UOUXNYFZSA-N

(Q105164386)

(E)-1-[3-[(1R,5R,6S)-6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(3,5-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one

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