(Q105004496)

English

[(10R,11R,12S,13S,15R)-3,4,5,11,12,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl] 3,4,5-trihydroxybenzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(3,4,5,11,12,21,22,23-Octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl) 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

634.080613864 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(10R,11S,12S,13R,15S)-3,4,5,11,12,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl] 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₂₂O₁₈

0 references

canonical SMILES

O=C1OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C4=CC(O)=C(O)C(O)=C4C=5C(O)=C(O)C(O)=CC15

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isomeric SMILES

O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]2[C@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1

0 references

found in taxon

Camellia crassicolumna

1 reference

stated in

Phenolic antioxidants from green tea produced from Camellia crassicolumna Var. multiplex

Camellia crassicolumna var. multiplex

1 reference

stated in

Phenolic antioxidants from green tea produced from Camellia crassicolumna Var. multiplex

Identifiers

InChI

InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)21(37)23-13(43-27)5-42-25(40)7-3-11(30)17(33)19(35)14(7)15-8(26(41)44-23)4-12(31)18(34)20(15)36/h1-4,13,21-23,27-38H,5H2/t13-,21-,22+,23+,27+/m1/s1

0 references

InChIKey

FYIJLTSMNXUNLT-RBLCQMMRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FYIJLTSMNXUNLT-RBLCQMMRSA-N

(Q105004496)

[(10R,11R,12S,13S,15R)-3,4,5,11,12,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl] 3,4,5-trihydroxybenzoate

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Identifiers

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