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(-)-8-Demethylmaritidine

PropertiesImage
MNX_IDMNXM149243 Image of MNXM149243
referencechebi:31027
formulaC16H19NO3
global charge0
mol weight273.332
InChIKeyTZTBAJFJEZRQCV-RLCCDNCMSA-N
InChIInChI=1S/C16H19NO3/c1-20-14-8-12-10(6-13(14)19)9-17-5-4-16(12)3-2-11(18)7-15(16)17/h2-3,6,8,11,15,18-19H,4-5,7,9H2,1H3/t11-,15+,16+/m1/s1
SMILESCOC1=CC2=C(C=C1O)CN1CC[C@@]23C=C[C@@H](O)C[C@H]13
MNX internals
InChI (mnx)InChI=1/C16H19NO3/c1-20-14-8-12-10(6-13(14)19)9-17-5-4-16(12)3-2-11(18)7-15(16)17/h2-3,6,8,11,15,18-19H,4-5,7,9H2,1H3/t11-,15+,16+/m1/s1 Image of MNXM149243
SMILES (mnx)[CH3:1][O:20][C:14]1=[C:13]([OH:19])[CH:6]=[C:10]2[CH2:9][N:17]3[CH2:5][CH2:4][C@@:16]4([CH:3]=[CH:2][C@@H:11]([OH:18])[CH2:7][C@@H:15]43)[C:12]2=[CH:8]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:31027
chebi:31027
TZTBAJFJEZRQCV-RLCCDNCMSA-N 		(-)-8-Demethylmaritidine

seed.compound:cpd08960
seedM:cpd08960
TZTBAJFJEZRQCV-RLCCDNCMSA-O 		(-)-8-Demethylmaritidine
(-)-8-demethylmaritidine
(10bR, 4aS)-normaritidine
Normaritidine

kegg.compound:C12180
keggC:C12180
TZTBAJFJEZRQCV-RLCCDNCMSA-N 		(-)-8-Demethylmaritidine
Normaritidine

metacyc.compound:CPD-19446
metacycM:CPD-19446
TZTBAJFJEZRQCV-RLCCDNCMSA-N 		(-)-8-demethylmaritidine
(10bR, 4aS)-normaritidine

keggC:M_C12180
seedM:M_cpd08960 		secondary/obsolete/fantasy identifier