(Q105127026)

English

methyl 3,8-dihydroxy-1-methyl-9,10-dioxo-7-[(9R)-2,5,9-trihydroxy-3-methoxycarbonyl-4-methyl-10-oxoanthracen-9-yl]anthracene-2-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

biogenic anthraquinones

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anthrone polyketide

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mass

624.126776208 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₂₄O₁₂

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canonical SMILES

O=C(OC)C1=C(O)C=C2C(=O)C3=CC=C(C(O)=C3C(=O)C2=C1C)C4(O)C=5C=CC=C(O)C5C(=O)C=6C4=CC(O)=C(C(=O)OC)C6C

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isomeric SMILES

COC(=O)c1c(O)cc2c(c1C)C(=O)c1c(ccc([C@]3(O)c4cccc(O)c4C(=O)c4c3cc(O)c(C(=O)OC)c4C)c1O)C2=O

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found in taxon

Scutia myrtina

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stated in

Antiproliferative and antimalarial anthraquinones of Scutia myrtina from the Madagascar forest.

Identifiers

InChI

InChI=1S/C34H24O12/c1-12-22-15(10-20(36)24(12)32(42)45-3)28(38)14-8-9-17(29(39)26(14)30(22)40)34(44)16-6-5-7-19(35)27(16)31(41)23-13(2)25(33(43)46-4)21(37)11-18(23)34/h5-11,35-37,39,44H,1-4H3/t34-/m1/s1

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InChIKey

JFUFATWECSQGDK-UUWRZZSWSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JFUFATWECSQGDK-UUWRZZSWSA-N

(Q105127026)

methyl 3,8-dihydroxy-1-methyl-9,10-dioxo-7-[(9R)-2,5,9-trihydroxy-3-methoxycarbonyl-4-methyl-10-oxoanthracen-9-yl]anthracene-2-carboxylate

Statements

Identifiers

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