(Q115949683)

English

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

group of stereoisomers with the chemical formula C₂₇H₃₀O₁₆

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

610.15338488 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₀O₁₆

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canonical SMILES

O=C1C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)=C(OC=4C=C(O)C=C(O)C14)C=5C=CC(O)=C(O)C5

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isomeric SMILES

CC1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O

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found in taxon

Allium myrianthum

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stated in

Flavonoids from Allium myrianthum Boiss

Identifiers

InChI

InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8?,15-,17+,18-,20+,21?,22?,23?,26-,27+/m1/s1

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InChIKey

IKGXIBQEEMLURG-VBBKRDLBSA-N

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1 reference

2 January 2023

inferred from InChIKey

(Q115949683)

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

Statements

Identifiers

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