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equisetin

MNXM149041 is deprecated and here replaced by MNXM1368280
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368280 Image of MNXM1368280
referencechebi:142060
formulaC22H30NO4
global charge-1
mol weight372.485
InChIKeyQNQBPPQLRODXET-HMHJLHGTSA-M
InChIInChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-13(2)7-10-16(14)22(15,3)20(26)18-19(25)17(12-24)23(4)21(18)27/h5-6,8-9,13-17,24,26H,7,10-12H2,1-4H3/p-1/b6-5+,20-18-/t13-,14-,15-,16-,17+,22-/m1/s1
SMILESC/C=C/[C@@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@]1(C)/C([O-])=C1\C(=O)[C@H](CO)N(C)C1=O
MNX internals
InChI (mnx)InChI=1/C22H31NO4/c1-5-6-15-9-8-14-11-13(2)7-10-16(14)22(15,3)20(26)18-19(25)17(12-24)23(4)21(18)27/h5-6,8-9,13-17,24,26H,7,10-12H2,1-4H3/b6-5+,20-18-/t13-,14-,15-,16-,17+,22-/m1/s1 Image of MNXM1368280
SMILES (mnx)[CH3:1]/[CH:5]=[CH:6]/[C@@H:15]1[CH:9]=[CH:8][C@@H:14]2[CH2:11][C@H:13]([CH3:2])[CH2:7][CH2:10][C@H:16]2[C@:22]1([CH3:3])/[C:20](=[C:18]1\[C:19](=[O:25])[C@H:17]([CH2:12][OH:24])[N:23]([CH3:4])[C:21]1=[O:27])[OH:26]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:142060
chebi:142060
QNQBPPQLRODXET-HMHJLHGTSA-M 		equisetin
(Z)-{(1S,2R,4aS,6R,8aR)-1,6-dimethyl-2-[(1E)-prop-1-en-1-yl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl}[(5S)-5-(hydroxymethyl)-1-methyl-2,4-dioxopyrrolidin-3-ylidene]methanolate
equisetin(1-)

metacyc.compound:CPD-17992
metacycM:CPD-17992
QNQBPPQLRODXET-HMHJLHGTSA-N 		equisetin

CHEBI:142135
chebi:142135
QNQBPPQLRODXET-HMHJLHGTSA-N 		equisetin
(-)-equisetin
(3Z,5S)-3-[{(1S,2R,4aS,6R,8aR)-1,6-dimethyl-2-[(1E)-prop-1-en-1-yl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl}(hydroxy)methylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione
N-methyltrichosetin