(Q105134830)

English

(1S,4R,5R,12S,13R)-5,13,16,18-tetrahydroxy-4,12-bis(4-hydroxyphenyl)-3,11,21-trioxapentacyclo[11.8.0.01,10.02,7.015,20]henicosa-2(7),9,15,17,19-pentaene-8,14-dione

chemical compound

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instance of

type of chemical entity

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subclass of

5,13,16,18-Tetrahydroxy-4,12-bis(4-hydroxyphenyl)-3,11,21-trioxapentacyclo[11.8.0.01,10.02,7.015,20]henicosa-2(7),9,15,17,19-pentaene-8,14-dione

1 reference

1 reference

558.116211524 dalton

1 reference

2 references

inferred from InChIKey

1 reference

C₃₀H₂₂O₁₁

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canonical SMILES

O=C1C=C2OC(C3=CC=C(O)C=C3)C4(O)C(=O)C=5C(O)=CC(O)=CC5OC24C=6OC(C7=CC=C(O)C=C7)C(O)CC16

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isomeric SMILES

O=C1C=C2O[C@@H](c3ccc(O)cc3)[C@]3(O)C(=O)c4c(O)cc(O)cc4O[C@]23C2=C1C[C@@H](O)[C@@H](c1ccc(O)cc1)O2

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found in taxon

Daphne holosericea

1 reference

stated in

Flavonoids from Daphne holosericea

Identifiers

InChI

InChI=1S/C30H22O11/c31-15-5-1-13(2-6-15)25-21(36)11-18-19(34)12-23-30(28(18)40-25)29(38,27(39-23)14-3-7-16(32)8-4-14)26(37)24-20(35)9-17(33)10-22(24)41-30/h1-10,12,21,25,27,31-33,35-36,38H,11H2/t21-,25-,27+,29-,30+/m1/s1

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InChIKey

JTLAASAWWOBQSW-RIIFXXCRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JTLAASAWWOBQSW-RIIFXXCRSA-N

(Q105134830)

(1S,4R,5R,12S,13R)-5,13,16,18-tetrahydroxy-4,12-bis(4-hydroxyphenyl)-3,11,21-trioxapentacyclo[11.8.0.01,10.02,7.015,20]henicosa-2(7),9,15,17,19-pentaene-8,14-dione

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