(Q104997877)

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] 3,4,5-trihydroxybenzoate

group of stereoisomers with the chemical formula C₃₆H₂₈O₂₁

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instance of

group of stereoisomers

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1 reference

796.5963 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₂₈O₂₁

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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)C5=CC(O)=C(O)C(O)=C5)C1O)C=CC6=CC=C(O)C(O)=C6

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Identifiers

InChI

InChI=1S/C36H28O21/c37-15-3-1-11(5-16(15)38)2-4-22(43)55-36-30(49)32(57-33(50)12-6-17(39)25(44)18(40)7-12)31-21(54-36)10-53-34(51)13-8-19(41)26(45)28(47)23(13)24-14(35(52)56-31)9-20(42)27(46)29(24)48/h1-9,21,30-32,36-42,44-49H,10H2

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InChIKey

FMIYQZIXXGXUEI-UHFFFAOYSA-N

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PubChem CID

85389056

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

FMIYQZIXXGXUEI-UHFFFAOYSA-N

(Q104997877)

[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] 3,4,5-trihydroxybenzoate

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