(Q105159169)

English

3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5,7-dihydroxy-2-[4-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one

group of stereoisomers with the chemical formula C₃₃H₄₀O₂₁

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Statements

instance of

group of stereoisomers

0 references

1 reference

772.2062083 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₀O₂₁

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canonical SMILES

O=C1C(OC2OC(CO)C(O)C(O)C2OC3OCC(O)C(O)C3O)=C(OC=4C=C(O)C=C(O)C14)C=5C=CC(OC)=C(OC6OC(CO)C(O)C(O)C6O)C5

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found in taxon

Aesculus chinensis

1 reference

stated in

Antiinflammatory triterpenoid saponins from the seeds of Aesculus chinensis

Identifiers

InChI

InChI=1S/C33H40O21/c1-47-14-3-2-10(4-15(14)50-32-27(46)24(43)21(40)17(7-34)51-32)28-29(23(42)19-12(37)5-11(36)6-16(19)49-28)53-33-30(25(44)22(41)18(8-35)52-33)54-31-26(45)20(39)13(38)9-48-31/h2-6,13,17-18,20-22,24-27,30-41,43-46H,7-9H2,1H3

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InChIKey

LXYLKQLCIVSEGM-UHFFFAOYSA-N

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1 reference

2 January 2023

inferred from InChIKey

(Q105159169)

3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5,7-dihydroxy-2-[4-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one

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Identifiers

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