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(-)-trans-clavicipitic acid

PropertiesImage
MNX_IDMNXM30372 Image of MNXM30372
referencechebi:48270
formulaC16H18N2O2
global charge0
mol weight270.332
InChIKeyVZMAHZAQMKNJIG-KGLIPLIRSA-N
InChIInChI=1S/C16H18N2O2/c1-9(2)6-13-11-4-3-5-12-15(11)10(8-17-12)7-14(18-13)16(19)20/h3-6,8,13-14,17-18H,7H2,1-2H3,(H,19,20)/t13-,14+/m1/s1
SMILESCC(C)=C[C@H]1N[C@H](C(=O)O)CC2=CNC3=C2C1=CC=C3
MNX internals
InChI (mnx)InChI=1/C16H18N2O2/c1-9(2)6-13-11-4-3-5-12-15(11)10(8-17-12)7-14(18-13)16(19)20/h3-6,8,13-14,17-18H,7H2,1-2H3,(H,19,20)/t13-,14+/m1/s1 Image of MNXM30372
SMILES (mnx)[CH3:1][C:9]([CH3:2])=[CH:6][C@@H:13]1[C:11]2=[C:15]3[C:10](=[CH:8][NH:17][C:12]3=[CH:5][CH:3]=[CH:4]2)[CH2:7][C@@H:14]([C:16](=[O:19])[OH:20])[NH:18]1
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:48270
chebi:48270
VZMAHZAQMKNJIG-KGLIPLIRSA-N
(-)-trans-clavicipitic acid
(4S,6R)-6-(2-methylprop-1-en-1-yl)-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-4-carboxylic acid
(4S,6R)-clavicipitic acid