(Q104389185)

English

[(2R,3R)-5,7-dihydroxy-2-(2,3,4,5-tetrahydroxy-6-oxobenzo[7]annulen-8-yl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

chemical compound

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instance of

type of chemical entity

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subclass of

chromane

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mass

552.0903907 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₇H₂₀O₁₃

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canonical SMILES

O=C(OC1CC=2C(O)=CC(O)=CC2OC1C3=CC(=O)C(O)=C4C(O)=C(O)C(O)=CC4=C3)C5=CC(O)=C(O)C(O)=C5

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isomeric SMILES

O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(=O)c(O)c2c(O)c(O)c(O)cc2c1)c1cc(O)c(O)c(O)c1

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found in taxon

Camellia sinensis

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stated in

Identifiers

InChI

InChI=1S/C27H20O13/c28-12-6-14(29)13-8-20(40-27(38)11-4-15(30)22(34)16(31)5-11)26(39-19(13)7-12)10-1-9-2-18(33)24(36)25(37)21(9)23(35)17(32)3-10/h1-7,20,26,28-31,33-34,36-37H,8H2,(H,32,35)/t20-,26-/m1/s1

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InChIKey

CMGRMMSVGCHWOK-FQRUVTKNSA-N

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CAS Registry Number

102067-92-5

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stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

17 September 2022

inferred from InChIKey

1 reference

17 September 2022

inferred from InChIKey

1 reference

0 references

(Q104389185)

[(2R,3R)-5,7-dihydroxy-2-(2,3,4,5-tetrahydroxy-6-oxobenzo[7]annulen-8-yl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

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