(Q105114208)

English

3-{[(2S,3S,4R,5R)-4,5-dihydroxy-6-methyl-3-{[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

group of stereoisomers with the chemical formula C₂₇H₃₀O₁₄

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Statements

instance of

group of stereoisomers

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1 reference

578.1635556399999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₇H₃₀O₁₄

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canonical SMILES

O=C1C(OC2OC(C)C(O)C(O)C2OC3OC(C)C(O)C(O)C3O)=C(OC=4C=C(O)C=C(O)C14)C=5C=CC(O)=CC5

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isomeric SMILES

CC1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O

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Identifiers

InChI

InChI=1S/C27H30O14/c1-9-17(31)20(34)22(36)26(37-9)41-25-21(35)18(32)10(2)38-27(25)40-24-19(33)16-14(30)7-13(29)8-15(16)39-23(24)11-3-5-12(28)6-4-11/h3-10,17-18,20-22,25-32,34-36H,1-2H3/t9-,10?,17-,18-,20-,21+,22-,25-,26-,27-/m0/s1

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InChIKey

IJXRVZWYGGTCEE-GTDITPETSA-N

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PubChem CID

163193022

1 reference

based on heuristic

inferred from InChIKey

(Q105114208)

3-{[(2S,3S,4R,5R)-4,5-dihydroxy-6-methyl-3-{[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

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