(Q105259477)

English

5,13-bis(3,4-dihydroxyphenyl)-16-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-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

group of stereoisomers with the chemical formula C₄₅H₃₆O₁₈

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Statements

instance of

group of stereoisomers

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subclass of

(4->8)-proanthocyanidin

1 reference

inferred from

(4->8)-proanthocyanidin

8C-substituted flavan

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inferred from

8C-substituted flavan

4C-substituted flavan

1 reference

inferred from

4C-substituted flavan

mass

864.190164312 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₅H₃₆O₁₈

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canonical SMILES

OC=1C=C(O)C2=C(OC(C3=CC=C(O)C(O)=C3)C(O)C2C4=C(O)C=C(O)C5=C4OC6(OC7=CC(O)=C8C(OC(C9=CC=C(O)C(O)=C9)C(O)C8)=C7C5C6O)C%10=CC=C(O)C(O)=C%10)C1

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Identifiers

InChI

InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)60-41(16-2-5-21(48)25(52)8-16)39(58)37(33)34-28(55)13-29(56)35-38-36-32(62-45(44(38)59,63-43(34)35)17-3-6-22(49)26(53)9-17)14-23(50)19-12-30(57)40(61-42(19)36)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2

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InChIKey

SRWJAXVAWDYXPA-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SRWJAXVAWDYXPA-UHFFFAOYSA-N

1 reference

(Q105259477)

5,13-bis(3,4-dihydroxyphenyl)-16-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-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

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