(Q82920664)

English

Epsilon-isorhodomycinone

chemical compound

In more languages

Statements

type of chemical entity

0 references

methyl 2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

1 reference

based on heuristic

inferred from SMILES

444.10564684 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₀O₁₀

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canonical SMILES

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

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isomeric SMILES

CC[C@]1(C[C@@H](C2=C([C@H]1C(=O)OC)C(=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)O)O

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Streptomyces coeruleorubidus

1 reference

Biotransformations of anthracyclinones inStreptomyces coeruleorubidus andStreptomyces galilaeus

Identifiers

InChI=1S/C22H20O10/c1-3-22(31)6-9(25)12-13(16(22)21(30)32-2)20(29)15-14(19(12)28)17(26)10-7(23)4-5-8(24)11(10)18(15)27/h4-5,9,16,23-25,28-29,31H,3,6H2,1-2H3/t9-,16-,22+/m0/s1

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CIXXANXJCSBTFL-ACHUOPHGSA-N

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CAS Registry Number

0 references

1 reference

matched by identifier from

CIXXANXJCSBTFL-ACHUOPHGSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C22H20O10/c1-3-22(31)6-9(25)12-13(16(22)21(30)32-2)20(29)15-14(19(12)28)17(26)10-7(23)4-5-8(24)11(10)18(15)27/h4-5,9,16,23-25,28-29,31H,3,6H2,1-2H3/t9-,16-,22+/m0/s1

UniChem compound ID

1 reference

DSSTox substance ID

1 reference

matched by identifier from

CIXXANXJCSBTFL-ACHUOPHGSA-N

DSSTOX compound identifier

DTXCID001371909

0 references

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

CIXXANXJCSBTFL-ACHUOPHGSA-N

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