(Q105199687)

English

[2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] acetate

group of stereoisomers with the chemical formula C₂₉H₃₂O₁₇

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Statements

instance of

group of stereoisomers

0 references

1 reference

652.163949564 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₂O₁₇

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canonical SMILES

O=C(OC1C(O)C(O)C(OC1OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=C(O)C4)COC5OC(C)C(O)C(O)C5O)C

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Identifiers

InChI

InChI=1S/C29H32O17/c1-9-19(35)22(38)24(40)28(42-9)41-8-17-20(36)23(39)27(43-10(2)30)29(45-17)46-26-21(37)18-15(34)6-12(31)7-16(18)44-25(26)11-3-4-13(32)14(33)5-11/h3-7,9,17,19-20,22-24,27-29,31-36,38-40H,8H2,1-2H3

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InChIKey

OTLZRRUHHNDQIU-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

OTLZRRUHHNDQIU-UHFFFAOYSA-N

1 reference

NMRShiftDB structure ID

2433

1 reference

matched by identifier from

InChIKey

OTLZRRUHHNDQIU-UHFFFAOYSA-N

Human Metabolome Database ID

HMDB0039929

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

OTLZRRUHHNDQIU-UHFFFAOYSA-N

(Q105199687)

[2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] acetate

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