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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H16N6O3
Molecular Weight 256.2617
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DECARBAMOYLSAXITOXIN

SMILES

NC1=N[C@H]2[C@H](CO)N=C(N)N3CCC(O)(O)[C@]23N1

InChI

InChIKey=VRRIYZJUSNMZMP-PJPYAQQDSA-N
InChI=1S/C9H16N6O3/c10-6-13-5-4(3-16)12-7(11)15-2-1-8(17,18)9(5,15)14-6/h4-5,16-18H,1-3H2,(H2,11,12)(H3,10,13,14)/t4-,5-,9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C9H16N6O3
Molecular Weight 256.2617
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
EC89AU638S
Record Status Validated (UNII)
Record Version