(Q105363947)

English

10a,10'a-dimethyl (5S,5'S,6'S,10aR,10'aR)-5'-(acetyloxy)-1,1',5,8,8'-pentahydroxy-3,6'-dimethyl-9,9'-dioxo-5H,5'H,6H,6'H,7H,7'H-[2,4'-bixanthene]-10a,10'a-dicarboxylate

chemical compound

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type of chemical entity

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subclass of

10a,10'a-dimethyl 5'-(acetyloxy)-1,1',5,8,8'-pentahydroxy-3,6'-dimethyl-9,9'-dioxo-5H,5'H,6H,6'H,7H,7'H-[2,4'-bixanthene]-10a,10'a-dicarboxylate

1 reference

based on heuristic

inferred from SMILES

mass

680.174120324 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₄H₃₂O₁₅

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canonical SMILES

O=C1C2=C(O)C=CC(=C2OC3(C(=O)OC)C1=C(O)CC(C)C3OC(=O)C)C4=C(O)C=5C(=O)C6=C(O)CCC(O)C6(OC5C=C4C)C(=O)OC

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isomeric SMILES

COC(=O)[C@@]12Oc3cc(C)c(-c4ccc(O)c5c4O[C@]4(C(=O)OC)C(=C(O)C[C@H](C)[C@@H]4OC(C)=O)C5=O)c(O)c3C(=O)C1=C(O)CC[C@@H]2O

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found in taxon

Aspergillus fischeri

1 reference

stated in

Neosartorin, an ergochrome biosynthesized by Neosartorya fischeri

Neosartorya fischeri

1 reference

stated in

Neosartorin, an ergochrome biosynthesized by Neosartorya fischeri

Aspergillus fumigatus

1 reference

stated in

Secondary metabolite profiles and antifungal drug susceptibility of Aspergillus fumigatus and closely related species, Aspergillus lentulus, Aspergillus udagawae, and Aspergillus viridinutans

Identifiers

InChI

InChI=1S/C34H32O15/c1-12-11-19-23(28(42)24-17(37)8-9-20(39)33(24,48-19)31(43)45-4)26(40)21(12)15-6-7-16(36)22-27(41)25-18(38)10-13(2)30(47-14(3)35)34(25,32(44)46-5)49-29(15)22/h6-7,11,13,20,30,36-40H,8-10H2,1-5H3/t13-,20-,30-,33-,34+/m0/s1

(Q105363947)

10a,10'a-dimethyl (5S,5'S,6'S,10aR,10'aR)-5'-(acetyloxy)-1,1',5,8,8'-pentahydroxy-3,6'-dimethyl-9,9'-dioxo-5H,5'H,6H,6'H,7H,7'H-[2,4'-bixanthene]-10a,10'a-dicarboxylate

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