(Q105211412)

English

(1R,5R,6R,7S,13S,21R)-5,13-bis(4-hydroxyphenyl)-7-[(2R,3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4C-substituted flavan

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1 reference

816.205420452 dalton

1 reference

1 reference

(1R,5R,6R,7S,13S,21R)-5,13-bis(4-hydroxyphenyl)-7-[(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol

1 reference

based on heuristic

inferred from InChI

PMDYNLFGCCRGRX-SAPOJKNTSA-N

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₅H₃₆O₁₅

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canonical SMILES

OC1=CC=C(C=C1)C2OC=3C(=C(O)C=C(O)C3C4C5=C(O)C=C6OC7(OC=8C=C(O)C=C(O)C8C(C6=C5OC(C9=CC=C(O)C=C9)C4O)C7O)C%10=CC=C(O)C=C%10)CC2O

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isomeric SMILES

Oc1ccc([C@H]2Oc3c(c(O)cc(O)c3[C@H]3c4c(O)cc5c(c4O[C@H](c4ccc(O)cc4)[C@@H]3O)[C@H]3c4c(O)cc(O)cc4O[C@@](c4ccc(O)cc4)(O5)[C@@H]3O)C[C@@H]2O)cc1

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found in taxon

Serpocaulon triseriale

1 reference

stated in

The flavonoid constituents of two Polypodium species (Calaguala) and their effect on the elastase release in human neutrophils

Identifiers

InChI

InChI=1S/C45H36O15/c46-21-7-1-18(2-8-21)40-30(54)15-25-26(50)16-28(52)34(42(25)57-40)37-35-29(53)17-32-36(43(35)58-41(39(37)55)19-3-9-22(47)10-4-19)38-33-27(51)13-24(49)14-31(33)59-45(60-32,44(38)56)20-5-11-23(48)12-6-20/h1-14,16-17,30,37-41,44,46-56H,15H2/t30-,37-,38+,39+,40+,41+,44+,45-/m0/s1

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InChIKey

PMDYNLFGCCRGRX-HMQYECKYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PMDYNLFGCCRGRX-HMQYECKYSA-N

1 reference

(Q105211412)

(1R,5R,6R,7S,13S,21R)-5,13-bis(4-hydroxyphenyl)-7-[(2R,3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol

Statements

Identifiers

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