(Q105174825)

English

[(2R,3S,4S,5R,6S)-6-[[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[6-[[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

612.147905576 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₂₈O₁₄

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canonical SMILES

O=C(OCC1OC(OC2C(=O)C=3C(O)=CC(O)=CC3OC2C4=CC=C(O)C(O)=C4)C(O)C(O)C1O)C=CC5=CC=C(O)C=C5

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isomeric SMILES

O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](O[C@H]2C(=O)c3c(O)cc(O)cc3O[C@H]2c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O

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found in taxon

Melastoma candidum

1 reference

stated in

Antihypertensive principles from the leaves of Melastoma candidum

Melastoma septemnervium

1 reference

stated in

Antihypertensive principles from the leaves of Melastoma candidum

Identifiers

InChI

InChI=1S/C30H28O14/c31-15-5-1-13(2-6-15)3-8-22(36)41-12-21-24(37)26(39)27(40)30(43-21)44-29-25(38)23-19(35)10-16(32)11-20(23)42-28(29)14-4-7-17(33)18(34)9-14/h1-11,21,24,26-35,37,39-40H,12H2/b8-3+/t21-,24-,26+,27-,28+,29+,30+/m1/s1

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InChIKey

MYECUTDDJFJLSS-ASKWOVAPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MYECUTDDJFJLSS-ASKWOVAPSA-N

(Q105174825)

[(2R,3S,4S,5R,6S)-6-[[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

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Identifiers

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