(Q105201926)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

biogenic anthraquinones

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anthrone polyketide

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mass

694.16864102 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₃₀O₁₃

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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(OC(=O)C(C)C)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(OC(=O)C(C)C)c4cccc(O)c4C(=O)c4c3cc(O)c(C(=O)OC)c4C)c1O)C2=O

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found in taxon

Scutia myrtina

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C38H30O13/c1-14(2)35(46)51-38(19-8-7-9-22(39)30(19)34(45)26-16(4)28(37(48)50-6)24(41)13-21(26)38)20-11-10-17-29(32(20)43)33(44)25-15(3)27(36(47)49-5)23(40)12-18(25)31(17)42/h7-14,39-41,43H,1-6H3/t38-/m1/s1

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InChIKey

OWDCXJMCKGCGEQ-KXQOOQHDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OWDCXJMCKGCGEQ-KXQOOQHDSA-N

(Q105201926)

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

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Identifiers

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