(Q105186872)

English

(4S)-4beta,6alpha-Bis(3,4-dihydroxyphenyl)-7alpha,9-dihydroxy-8beta-[(2R)-2alpha-(3,4-dihydroxyphenyl)-3beta,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-2,3,4,6,7,8-hexahydro-1,5-dioxaphenanthrene-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

2,10-bis(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5-dihydroxy-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-8-one

1 reference

based on heuristic

inferred from SMILES

mass

740.174120324 dalton

1 reference

2 references

inferred from InChIKey

1 reference

1 reference

C₃₉H₃₂O₁₅

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canonical SMILES

O=C1OC2=CC(O)=C3C(OC(C4=CC=C(O)C(O)=C4)C(O)C3C=5C(O)=CC(O)=C6C5OC(C7=CC=C(O)C(O)=C7)C(O)C6)=C2C(C8=CC=C(O)C(O)=C8)C1

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isomeric SMILES

O=C1C[C@@H](c2ccc(O)c(O)c2)c2c(cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)[C@H]3c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)O1

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found in taxon

Kandelia candel

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stated in

Identifiers

InChI

InChI=1S/C39H32O15/c40-19-4-1-14(7-23(19)44)17-11-30(50)52-29-13-27(48)33-34(35(51)37(54-39(33)31(17)29)16-3-6-21(42)25(46)9-16)32-26(47)12-22(43)18-10-28(49)36(53-38(18)32)15-2-5-20(41)24(45)8-15/h1-9,12-13,17,28,34-37,40-49,51H,10-11H2/t17-,28-,34-,35+,36+,37+/m0/s1

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InChIKey

NWZBNZUABGSPSN-OVVQSFIRSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105186872)

(4S)-4beta,6alpha-Bis(3,4-dihydroxyphenyl)-7alpha,9-dihydroxy-8beta-[(2R)-2alpha-(3,4-dihydroxyphenyl)-3beta,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-2,3,4,6,7,8-hexahydro-1,5-dioxaphenanthrene-2-one

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