(Q110187869)

English

3-(3,4-dihydroxyphenyl)-7-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-(3,4-Dihydroxyphenyl)-7-methyl-4-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-one

1 reference

based on heuristic

inferred from SMILES

mass

632.174120324 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₂O₁₅

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canonical SMILES

O=C1C=C2OC(=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C=5C=C(OC(=C1)C25)C)C=6C=CC(O)=C(O)C6

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isomeric SMILES

Cc1cc2c(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)oc3cc(=O)cc(o1)c32

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found in taxon

Ribes nigrum

1 reference

stated in

Novel pyranoanthocyanins from black currant seed

Identifiers

InChI

InChI=1S/C30H32O15/c1-10-5-14-20-17(41-10)7-13(31)8-18(20)43-27(12-3-4-15(32)16(33)6-12)28(14)45-30-26(39)24(37)22(35)19(44-30)9-40-29-25(38)23(36)21(34)11(2)42-29/h3-8,11,19,21-26,29-30,32-39H,9H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,29+,30-/m0/s1

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InChIKey

QJODZNXDGUGMJE-PILAWTQCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QJODZNXDGUGMJE-PILAWTQCSA-N

1 reference

(Q110187869)

3-(3,4-dihydroxyphenyl)-7-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-one

Statements

Identifiers

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