(Q110202832)

English

2-[16-[1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-4,5,10-trihydroxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene-15-carbonyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid

group of stereoisomers with the chemical formula C₃₆H₂₆O₁₆

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

714.1220847520002 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₆H₂₆O₁₆

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canonical SMILES

O=C(O)C(OC(=O)C1=CC2=CC=C(O)C=3OC4=CC(O)=C(O)C=C4C(=C1C(=O)OC(C(=O)O)CC5=CC=C(O)C(O)=C5)C23)CC6=CC=C(O)C(O)=C6

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Identifiers

InChI

InChI=1S/C36H26O16/c37-19-4-1-14(7-22(19)40)9-27(33(44)45)51-35(48)18-11-16-3-6-21(39)32-29(16)30(17-12-24(42)25(43)13-26(17)50-32)31(18)36(49)52-28(34(46)47)10-15-2-5-20(38)23(41)8-15/h1-8,11-13,27-28,37-43H,9-10H2,(H,44,45)(H,46,47)

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InChIKey

CMUFBMKEQWQWFP-UHFFFAOYSA-N

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PubChem CID

85202876

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

CMUFBMKEQWQWFP-UHFFFAOYSA-N

(Q110202832)

2-[16-[1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-4,5,10-trihydroxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene-15-carbonyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid

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