(Q104954589)

English

methyl (2R)-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3,4-dihydro-1H-tetracene-1-carboxylate

group of stereoisomers with the chemical formula C₂₈H₃₀O₁₃

In more languages

Statements

group of stereoisomers

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anthracycline polyketide

1 reference

anthracycline polyketide

574.16864102 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₀O₁₃

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canonical SMILES

O=C1C=2C=CC=C(O)C2C(=O)C=3C(O)=C4C(=C(O)C13)C(C(=O)OC)C(O)(CC)CC4OC5OC(C)C(O)C(O)C5O

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isomeric SMILES

CC[C@@]1(O)CC(OC2OC(C)C(O)C(O)C2O)c2c(O)c3c(c(O)c2C1C(=O)OC)C(=O)c1cccc(O)c1C3=O

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Streptomyces peucetius

1 reference

A gene cluster from Streptomyces galilaeus involved in glycosylation of aclarubicin

Identifiers

InChI=1S/C28H30O13/c1-4-28(38)8-12(41-27-25(36)24(35)19(30)9(2)40-27)14-15(18(28)26(37)39-3)23(34)16-17(22(14)33)21(32)13-10(20(16)31)6-5-7-11(13)29/h5-7,9,12,18-19,24-25,27,29-30,33-36,38H,4,8H2,1-3H3/t9?,12?,18?,19?,24?,25?,27?,28-/m1/s1

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CDLQSGBEXZDMOA-ROPZWIBISA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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