(Q110187868)

English

7-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxyphenyl)-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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instance of

type of chemical entity

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subclass of

7-Methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxyphenyl)-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

502.111126144 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₂₂O₁₂

0 references

canonical SMILES

O=C1C=C2OC(C=3C=C(O)C(O)=C(O)C3)=C(OC4OC(CO)C(O)C(O)C4O)C=5C=C(OC(=C1)C25)C

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isomeric SMILES

Cc1cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(-c3cc(O)c(O)c(O)c3)oc3cc(=O)cc(o1)c32

0 references

found in taxon

Ribes nigrum

1 reference

stated in

Novel pyranoanthocyanins from black currant seed

Identifiers

InChI

InChI=1S/C24H22O12/c1-8-2-11-17-14(33-8)5-10(26)6-15(17)34-22(9-3-12(27)18(29)13(28)4-9)23(11)36-24-21(32)20(31)19(30)16(7-25)35-24/h2-6,16,19-21,24-25,27-32H,7H2,1H3/t16-,19-,20+,21-,24+/m1/s1

0 references

InChIKey

HVEQASDYFXOXEB-ZVQINVJOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HVEQASDYFXOXEB-ZVQINVJOSA-N

1 reference

(Q110187868)

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

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