(Q105381738)

English

CID 16170025

group of stereoisomers with the chemical formula C₅₅H₃₆O₃₄

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Statements

group of stereoisomers

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chemical compound

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1,240.108798232 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₅H₃₆O₃₄

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canonical SMILES

O=C1OC=2C(O)=C(OC3=C(O)C(O)=C(O)C=C3C(=O)OC4C(OC(OC(=O)C5=CC(O)=C(O)C(O)=C5)C(OC(=O)C6=CC(O)=C(O)C(O)=C6)C4OC(=O)C7=CC(O)=C(O)C(O)=C7)COC(=O)C8=CC(O)=C(O)C(O)=C8)C=C9C(=O)OC%10=C(O)C(O)=CC1=C%10C29

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Quercus coccifera

1 reference

Dimeric and trimeric hydrolyzable tannins from Quercus coccifera and Quercus suber

Identifiers

InChI=1S/C55H36O34/c56-20-1-13(2-21(57)34(20)66)48(74)81-12-31-43(84-54(80)19-10-28(64)38(70)41(73)42(19)82-30-11-18-33-32-17(52(78)86-45(33)40(30)72)9-29(65)39(71)44(32)85-53(18)79)46(87-49(75)14-3-22(58)35(67)23(59)4-14)47(88-50(76)15-5-24(60)36(68)25(61)6-15)55(83-31)89-51(77)16-7-26(62)37(69)27(63)8-16/h1-11,31,43,46-47,55-73H,12H2

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ZQTFAHUKIHLSBE-UHFFFAOYSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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