(Q105184837)

English

1-(5-ethenyl-1-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3H,4H,4aH,5H,6H-pyrano[3,4-c]pyran-3-yl)-4-hydroxy-8-(4-hydroxyphenyl)octane-2,6-dione

group of stereoisomers with the chemical formula C₃₀H₃₈O₁₃

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Statements

group of stereoisomers

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biogenic alkylphenol

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biogenic alkylphenol

606.2312412759999 dalton

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based on heuristic

inferred from InChI

chemical formula

C₃₀H₃₈O₁₃

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canonical SMILES

O=C1OC(CC(=O)CC(O)CC(=O)CCC2=CC=C(O)C=C2)CC3C1=COC(OC4OC(CO)C(O)C(O)C4O)C3C=C

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Identifiers

InChI=1S/C30H38O13/c1-2-21-22-12-20(11-19(35)10-18(34)9-17(33)8-5-15-3-6-16(32)7-4-15)41-28(39)23(22)14-40-29(21)43-30-27(38)26(37)25(36)24(13-31)42-30/h2-4,6-7,14,18,20-22,24-27,29-32,34,36-38H,1,5,8-13H2

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NRVMYJKCFMJRML-UHFFFAOYSA-N

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matched by identifier from

NRVMYJKCFMJRML-UHFFFAOYSA-N

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