(Q76422754)

English

Anthramycin

chemical compound

In more languages

Statements

type of chemical entity

0 references

benzodiazepine alkaloid

1 reference

based on heuristic

inferred from SMILES

315.121906024 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₆H₁₇N₃O₄

0 references

canonical SMILES

Cc1ccc2c(c1O)NC(O)C1CC(C=CC(N)=O)=CN1C2=O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)N3C=C(C[C@H]3[C@H](N2)O)/C=C/C(=O)N)O

0 references

Identifiers

InChI=1S/C16H17N3O4/c1-8-2-4-10-13(14(8)21)18-15(22)11-6-9(3-5-12(17)20)7-19(11)16(10)23/h2-5,7,11,15,18,21-22H,6H2,1H3,(H2,17,20)/b5-3+/t11-,15+/m0/s1

0 references

VGQOVCHZGQWAOI-YQRHFANHSA-N

0 references

CAS Registry Number

1 reference

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

matched by identifier from

VGQOVCHZGQWAOI-YQRHFANHSA-N

mapping relation type

2 references

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI=1S/C16H17N3O4/c1-8-2-4-10-13(14(8)21)18-15(22)11-6-9(3-5-12(17)20)7-19(11)16(10)23/h2-5,7,11,15,18,21-22H,6H2,1H3,(H2,17,20)/b5-3+/t11-,15+/m0/s1

UniChem compound ID

1 reference

DSSTox substance ID

DTXSID801023388

1 reference

matched by identifier from

VGQOVCHZGQWAOI-YQRHFANHSA-N

1 reference

matched by identifier from

VGQOVCHZGQWAOI-YQRHFANHSA-N

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