(Q104401780)

English

Flosin A

group of stereoisomers with the chemical formula C₅₆H₅₈O₂₇

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Statements

group of stereoisomers

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chemical compound

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1,162.316546596 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₅₆H₅₈O₂₇

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canonical SMILES

O=C(OC)C1=CC(OC)=C(OC)C(OC)=C1OC=2C=C3C(=O)OC4C(OC(O)C5OC(=O)C6=CC(OC)=C(OC)C(OC)=C6C7=C(OC)C(OC)=C(OC)C=C7C(=O)OC54)COC(=O)C8=CC(OC)=C(OC)C(OC)=C8C3=C(OC)C2OC

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isomeric SMILES

COC(=O)c1cc(OC)c(OC)c(OC)c1Oc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)C(=O)OC[C@H]1OC(O)[C@H]3OC(=O)c4cc(OC)c(OC)c(OC)c4-c4c(cc(OC)c(OC)c4OC)C(=O)O[C@H]3[C@H]1OC2=O

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1 reference

Dimeric ellagitannins from Alnus japonica

Identifiers

InChI=1S/C56H58O27/c1-63-27-16-22-33(44(72-10)38(27)67-5)36-25(19-31(42(71-9)47(36)75-13)79-37-26(51(57)77-15)20-30(66-4)41(70-8)48(37)76-14)53(59)81-43-32(21-78-52(22)58)80-56(62)50-49(43)82-54(60)23-17-28(64-2)39(68-6)45(73-11)34(23)35-24(55(61)83-50)18-29(65-3)40(69-7)46(35)74-12/h16-20,32,43,49-50,56,62H,21H2,1-15H3/t32-,43+,49+,50+,56?/m1/s1

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HDCKHJXOWWMVFQ-ZVTBMMOISA-N

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3 references

26 December 2021

15 September 2022

matched by identifier from

HDCKHJXOWWMVFQ-ZVTBMMOISA-N

UniChem compound ID

1 reference

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