(Q105173964)

English

(S)-(+)-2,3-Dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

benzodiazepine alkaloid

0 references

mass

216.089877624 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₂H₁₂N₂O₂

0 references

canonical SMILES

O=C1Nc2ccccc2C(=O)N2CCCC12

0 references

isomeric SMILES

O=C1Nc2ccccc2C(=O)N2CCC[C@@H]12

0 references

found in taxon

Fuligo candida

1 reference

stated in

Cycloanthranilylproline-derived constituents from a myxomycete Fuligo candida

Fuligo septica

1 reference

stated in

Cycloanthranilylproline-derived constituents from a myxomycete Fuligo candida

Isatis tinctoria

1 reference

stated in

Chemical constituents of Isatis indigotica

Identifiers

InChI

InChI=1S/C12H12N2O2/c15-11-10-6-3-7-14(10)12(16)8-4-1-2-5-9(8)13-11/h1-2,4-5,10H,3,6-7H2,(H,13,15)/t10-/m0/s1

0 references

InChIKey

MXBNEEHQIDLPLQ-JTQLQIEISA-N

0 references

CAS Registry Number

18877-34-4

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MXBNEEHQIDLPLQ-JTQLQIEISA-N

ChEBI ID

181479

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C12H12N2O2/c15-11-10-6-3-7-14(10)12(16)8-4-1-2-5-9(8)13-11/h1-2,4-5,10H,3,6-7H2,(H,13,15)/t10-/m0/s1

1 reference

MassBank accession ID

MSBNK-RIKEN_NPDepo-NGA02829

1 reference

InChIKey

MXBNEEHQIDLPLQ-JTQLQIEISA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-RIKEN_NPDepo-NGA02830

1 reference

InChIKey

MXBNEEHQIDLPLQ-JTQLQIEISA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-RIKEN_NPDepo-NGA02831

1 reference

InChIKey

MXBNEEHQIDLPLQ-JTQLQIEISA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-RIKEN_NPDepo-NGA02832

1 reference

InChIKey

MXBNEEHQIDLPLQ-JTQLQIEISA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

matched by identifier from

InChIKey

MXBNEEHQIDLPLQ-JTQLQIEISA-N

(Q105173964)

(S)-(+)-2,3-Dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione

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Identifiers

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