(Q105283061)

English

6,14-dihydroxy-7-methoxy-13-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

chemical compound

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instance of

type of chemical entity

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subclass of

6,14-dihydroxy-7-methoxy-13-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

1 reference

based on heuristic

inferred from SMILES

mass

448.064175952 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

6,14-dihydroxy-7-methoxy-13-[(2R,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₁₆O₁₂

0 references

canonical SMILES

O=C1OC2=C(O)C(OC3OCC(O)C(O)C3O)=CC=4C(=O)OC=5C(OC)=C(O)C=C1C5C24

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isomeric SMILES

COc1c(O)cc2c(=O)oc3c(O)c(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc4c(=O)oc1c2c34

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found in taxon

Aphananthe aspera

1 reference

stated in

Ellagic acid glycosides from the stem bark of Aphananthe aspera

Castanopsis fissa

1 reference

stated in

Triterpene hexahydroxydiphenoyl esters and a quinic acid purpurogallin carbonyl ester from the leaves of Castanopsis fissa

Platycarya strobilacea

1 reference

stated in

Distribution of ellagic acid derivatives and a diarylheptanoid in wood of Platycarya strobilacea

Identifiers

InChI

InChI=1S/C20H16O12/c1-28-15-7(21)2-5-11-10-6(19(27)32-17(11)15)3-9(13(24)16(10)31-18(5)26)30-20-14(25)12(23)8(22)4-29-20/h2-3,8,12,14,20-25H,4H2,1H3/t8-,12+,14-,20+/m1/s1

0 references

InChIKey

VAXNJGHUQUHOGC-ZDLAQBPYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VAXNJGHUQUHOGC-ZDLAQBPYSA-N

1 reference

(Q105283061)

6,14-dihydroxy-7-methoxy-13-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

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