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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H17N3O4
Molecular Weight 267.2811
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AGARITINE

SMILES

N[C@@H](CCC(=O)NNC1=CC=C(CO)C=C1)C(O)=O

InChI

InChIKey=SRSPQXBFDCGXIZ-JTQLQIEISA-N
InChI=1S/C12H17N3O4/c13-10(12(18)19)5-6-11(17)15-14-9-3-1-8(7-16)2-4-9/h1-4,10,14,16H,5-7,13H2,(H,15,17)(H,18,19)/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H17N3O4
Molecular Weight 267.2811
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
UX8Y7QVP8M
Record Status Validated (UNII)
Record Version