(Q106039577)

English

desmethylanhydrotetracycline

chemical compound

(4S,4aS,12aS)-3,10,11,12a-tetrahydroxy-6-methyl-4-(methylamino)-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide

In more languages

Statements

type of chemical entity

0 references

chemical compound

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412.1270509799999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₀N₂O₇

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CNC1C(O)=C(C(=N)O)C(=O)C2(O)C(=O)c3c(c(C)c4cccc(O)c4c3O)CC12

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CN[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(=O)c3c(c(C)c4cccc(O)c4c3O)C[C@@H]12

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C21H20N2O7/c1-7-8-4-3-5-11(24)12(8)16(25)13-9(7)6-10-15(23-2)17(26)14(20(22)29)19(28)21(10,30)18(13)27/h3-5,10,15,23-26,30H,6H2,1-2H3,(H2,22,29)/t10-,15-,21-/m0/s1

1 reference

ChEBI release 2021-03-01

IIHPMGDKNZPGON-QYAMTVPHSA-N

1 reference

ChEBI release 2021-03-01

1 reference

ChEBI release 2021-03-01

mapping relation type

1 reference

ChEBI release 2021-03-01

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