(Q105173197)

English

violarvensin

group of stereoisomers with the chemical formula C₂₇H₃₀O₁₄

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Statements

group of stereoisomers

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6C-glycosylated flavone

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6C-glycosylated flavone

6,8C-substituted flavone

1 reference

6,8C-substituted flavone

578.1635556399999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₇H₃₀O₁₄

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canonical SMILES

O=C1C=C(OC2=C1C(O)=C(C(O)=C2C3OC(C)C(O)C(O)C3O)C4OC(CO)C(O)C(O)C4O)C=5C=CC(O)=CC5

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isomeric SMILES

CC1O[C@@H](c2c(O)c([C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)C(O)[C@@H](O)[C@@H]1O

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Identifiers

InChI=1S/C27H30O14/c1-8-17(31)21(35)23(37)27(39-8)16-20(34)15(26-24(38)22(36)18(32)13(7-28)41-26)19(33)14-11(30)6-12(40-25(14)16)9-2-4-10(29)5-3-9/h2-6,8,13,17-18,21-24,26-29,31-38H,7H2,1H3/t8?,13?,17-,18-,21+,22+,23?,24?,26+,27+/m1/s1

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MVOUGOXRXQDXDC-HFUJTVANSA-N

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1 reference

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

1 reference

MVOUGOXRXQDXDC-HFUJTVANSA-N

17 April 2021

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

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