(Q105281280)

English

2-(3-Methoxy-4-hydroxyphenyl)-5-hydroxy-7-[[6-O-(4-hydroxycinnamoyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[3,4,5-Trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

608.152990956 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₂₈O₁₃

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canonical SMILES

O=C(OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C=4C=CC(O)=C(OC)C4)C(O)C(O)C1O)C=CC5=CC=C(O)C=C5

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isomeric SMILES

COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)ccc1O

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found in taxon

Marrubium velutinum

1 reference

stated in

Secondary Metabolites from Marrubium velutinum, Growing Wild in Greece

Identifiers

InChI

InChI=1S/C31H28O13/c1-40-23-10-16(5-8-19(23)33)22-13-21(35)27-20(34)11-18(12-24(27)43-22)42-31-30(39)29(38)28(37)25(44-31)14-41-26(36)9-4-15-2-6-17(32)7-3-15/h2-13,25,28-34,37-39H,14H2,1H3/b9-4+/t25-,28-,29+,30-,31-/m1/s1

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InChIKey

UYBZJEQWERUTFO-ACKBESTESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UYBZJEQWERUTFO-ACKBESTESA-N

1 reference

(Q105281280)

2-(3-Methoxy-4-hydroxyphenyl)-5-hydroxy-7-[[6-O-(4-hydroxycinnamoyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one

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