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fumisoquin A

PropertiesImage
MNX_IDMNXM1128616 Image of MNXM1128616
referencechebi:167199
formulaC13H17N2O5
global charge1
mol weight281.288
InChIKeyDGLVASJKYCTLGR-QAHWYCSRSA-O
InChIInChI=1S/C13H16N2O5/c14-7-3-9(17)10-12(19)5-1-2-8(16)11(18)6(5)4-15(10)13(7)20/h1-2,7,9-10,12,16-19H,3-4,14H2/p+1/t7-,9-,10+,12+/m0/s1
SMILES[NH3+][C@H]1C[C@H](O)[C@@H]2[C@H](O)C3=C(CN2C1=O)C(O)=C(O)C=C3
MNX internals
InChI (mnx)InChI=1/C13H16N2O5/c14-7-3-9(17)10-12(19)5-1-2-8(16)11(18)6(5)4-15(10)13(7)20/h1-2,7,9-10,12,16-19H,3-4,14H2/t7-,9-,10+,12+/m0/s1 Image of MNXM1128616
SMILES (mnx)[CH:1]1=[CH:2][C:8]([OH:16])=[C:11]([OH:18])[C:6]2=[C:5]1[C@@H:12]([OH:19])[C@H:10]1[C@@H:9]([OH:17])[CH2:3][C@H:7]([NH2:14])[C:13](=[O:20])[N:15]1[CH2:4]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:167199
chebi:167199
DGLVASJKYCTLGR-QAHWYCSRSA-O 		fumisoquin A
(1S,3S,11R,11aR)-1,7,8,11-tetrahydroxy-4-oxo-1,3,4,6,11,11a-hexahydro-2H-pyrido[1,2-b]isoquinolin-3-aminium
(1S,3S,11R,11aR)-1,7,8,11-tetrahydroxy-4-oxo-1H,2H,3H,4H,6H,11H,11aH-pyrido[1,2-b]isoquinolin-3-aminium
fumisoquin A cation
fumisoquin A(1+)

CHEBI:167211
chebi:167211
DGLVASJKYCTLGR-QAHWYCSRSA-N 		fumisoquin A
(1S,3S,11R,11aR)-3-amino-1,7,8,11-tetrahydroxy-1,2,3,6,11,11a-hexahydro-4H-pyrido[1,2-b]isoquinolin-4-one
(1S,3S,11R,11aR)-3-amino-1,7,8,11-tetrahydroxy-1H,2H,3H,4H,6H,11H,11aH-pyrido[1,2-b]isoquinolin-4-one