U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H17N3O8
Molecular Weight 307.2573
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ASPERGILLOMARASMINE A

SMILES

N[C@H](CN[C@H](CN[C@@H](CC(O)=O)C(O)=O)C(O)=O)C(O)=O

InChI

InChIKey=XFTWUNOVBCHBJR-NGJCXOISSA-N
InChI=1S/C10H17N3O8/c11-4(8(16)17)2-12-6(10(20)21)3-13-5(9(18)19)1-7(14)15/h4-6,12-13H,1-3,11H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)/t4-,5+,6-/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H17N3O8
Molecular Weight 307.2573
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
K4F9BJQ6EG
Record Status Validated (UNII)
Record Version