Search MNXref
 Feedback

Annolobine

PropertiesImage
MNX_IDMNXM42163 Image of MNXM42163
referencechebi:2742
formulaC17H15NO3
global charge0
mol weight281.311
InChIKeyLTSPCGWFQLHECP-CYBMUJFWSA-N
InChIInChI=1S/C17H15NO3/c19-11-1-2-12-10(5-11)6-13-15-9(3-4-18-13)7-14-17(16(12)15)21-8-20-14/h1-2,5,7,13,18-19H,3-4,6,8H2/t13-/m1/s1
SMILESOC1=CC2=C(C=C1)C1=C3C(=CC4=C1OCO4)CCN[C@@H]3C2
MNX internals
InChI (mnx)InChI=1/C17H15NO3/c19-11-1-2-12-10(5-11)6-13-15-9(3-4-18-13)7-14-17(16(12)15)21-8-20-14/h1-2,5,7,13,18-19H,3-4,6,8H2/t13-/m1/s1 Image of MNXM42163
SMILES (mnx)[CH:1]1=[CH:2][C:12]2=[C:10]([CH:5]=[C:11]1[OH:19])[CH2:6][C@@H:13]1[C:15]3=[C:16]2[C:17]2=[C:14]([CH:7]=[C:9]3[CH2:3][CH2:4][NH:18]1)[O:20][CH2:8][O:21]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:2742
chebi:2742
kegg.compound:C09338
keggC:C09338
LTSPCGWFQLHECP-CYBMUJFWSA-N 		Annolobine
Anolobine

seed.compound:cpd06233
seedM:cpd06233
LTSPCGWFQLHECP-CYBMUJFWSA-O 		Anolobine
Annolobine

keggC:M_C09338
seedM:M_cpd06233 		secondary/obsolete/fantasy identifier