(Q105117266)

English

[13-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate

group of stereoisomers with the chemical formula C₃₈H₃₀O₂₀

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Statements

instance of

group of stereoisomers

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1 reference

806.6343 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₃₀O₂₀

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canonical SMILES

O=C(OC1OC2COC(=O)C=3C=C(O)C(O)=C(O)C3C4=C(O)C(O)=C(O)C=C4C(=O)OC2C(OC(=O)C=CC5=CC=C(O)C(O)=C5)C1O)C=CC6=CC=C(O)C(O)=C6

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Identifiers

InChI

InChI=1S/C38H30O20/c39-18-5-1-14(9-20(18)41)3-7-25(45)56-35-33(51)38(57-26(46)8-4-15-2-6-19(40)21(42)10-15)55-24-13-54-36(52)16-11-22(43)29(47)31(49)27(16)28-17(37(53)58-34(24)35)12-23(44)30(48)32(28)50/h1-12,24,33-35,38-44,47-51H,13H2

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InChIKey

IPIURKJONRJLDF-UHFFFAOYSA-N

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PubChem CID

85389072

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

IPIURKJONRJLDF-UHFFFAOYSA-N

(Q105117266)

[13-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate

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