(Q82959175)

English

Phaseolotoxin

group of stereoisomers with the chemical formula C₁₅H₃₄N₉O₈PS

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

531.198866678 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₃₄N₉O₈PS

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(N=C(O)C(N)CCCNP(N)(=O)NS(=O)(=O)O)C(O)=NC(CCCCNC(=N)N)C(=O)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@@H](NC(=O)[C@H](N)CCCNP(N)(=O)NS(=O)(=O)O)C(=O)N[C@H](CCCCNC(=N)N)C(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C15H34N9O8PS/c1-9(12(25)23-11(14(27)28)6-2-3-7-20-15(17)18)22-13(26)10(16)5-4-8-21-33(19,29)24-34(30,31)32/h9-11H,2-8,16H2,1H3,(H,22,26)(H,23,25)(H,27,28)(H4,17,18,20)(H,30,31,32)(H4,19,21,24,29)/t9-,10-,11-,33?/m1/s1

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InChIKey

QDAOSMKOZCCWLJ-LNIFREGASA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID901402151

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(Q82959175)

Phaseolotoxin

Statements

Identifiers

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