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trichosetin

MNXM148522 is deprecated and here replaced by MNXM1368250
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368250 Image of MNXM1368250
referencechebi:142061
formulaC21H28NO4
global charge-1
mol weight358.458
InChIKeyTYCWBBBQIATAJE-GEZPOGBYSA-M
InChIInChI=1S/C21H29NO4/c1-4-5-14-8-7-13-10-12(2)6-9-15(13)21(14,3)19(25)17-18(24)16(11-23)22-20(17)26/h4-5,7-8,12-16,23,25H,6,9-11H2,1-3H3,(H,22,26)/p-1/b5-4+,19-17-/t12-,13-,14-,15-,16+,21-/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)N[C@@H](CO)C1=O
MNX internals
InChI (mnx)InChI=1/C21H29NO4/c1-4-5-14-8-7-13-10-12(2)6-9-15(13)21(14,3)19(25)17-18(24)16(11-23)22-20(17)26/h4-5,7-8,12-16,23,25H,6,9-11H2,1-3H3,(H,22,26)/b5-4+,19-17-/t12-,13-,14-,15-,16+,21-/m1/s1 Image of MNXM1368250
SMILES (mnx)[CH3:1]/[CH:4]=[CH:5]/[C@@H:14]1[CH:8]=[CH:7][C@@H:13]2[CH2:10][C@H:12]([CH3:2])[CH2:6][CH2:9][C@H:15]2[C@:21]1([CH3:3])/[C:19](=[C:17]1\[C:18](=[O:24])[C@H:16]([CH2:11][OH:23])[N:22]=[C:20]1[OH:26])[OH:25]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:142061
chebi:142061
TYCWBBBQIATAJE-GEZPOGBYSA-M 		trichosetin
trichosetin(1-)

CHEBI:142133
chebi:142133
TYCWBBBQIATAJE-GEZPOGBYSA-N 		trichosetin
(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)pyrrolidine-2,4-dione
N-desmethylequisetin

metacyc.compound:CPD-17993
metacycM:CPD-17993
TYCWBBBQIATAJE-GEZPOGBYSA-N 		trichosetin
N-desmethylequisetin