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sorgoleone

MNXM21807 is deprecated and here replaced by MNXM1368756
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368756 Image of MNXM1368756
referencechebi:61098
formulaC22H29O4
global charge-1
mol weight357.47
InChIKeyFGWRUVXUQWGLOX-AFJQJTPPSA-M
InChIInChI=1S/C22H30O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)19(23)17-20(26-2)22(18)25/h3,5-6,8-9,17,24H,1,4,7,10-16H2,2H3/p-1/b6-5-,9-8-
SMILESC=CC/C=C\C/C=C\CCCCCCCC1=C([O-])C(=O)C=C(OC)C1=O
MNX internals
InChI (mnx)InChI=1/C22H30O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)19(23)17-20(26-2)22(18)25/h3,5-6,8-9,17,24H,1,4,7,10-16H2,2H3/b6-5-,9-8- Image of MNXM1368756
SMILES (mnx)[CH2:1]=[CH:3][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][C:18]1=[C:21]([OH:24])[C:19](=[O:23])[CH:17]=[C:20]([O:26][CH3:2])[C:22]1=[O:25]
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:61098
chebi:61098
FGWRUVXUQWGLOX-AFJQJTPPSA-M 		sorgoleone
4-methoxy-3,6-dioxo-2-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]cyclohexa-1,4-dien-1-olate
sorgoleone anion
sorgoleone(1-)

lipidmaps:LMPK15050001
lipidmapsM:LMPK15050001
FGWRUVXUQWGLOX-AFJQJTPPSA-N 		Sorgoleone
2-hydroxy-5-methoxy-3-(8Z,11Z,14Z-pentadecatrien-1-yl)-1,4-benzoquinone

CHEBI:61117
chebi:61117
FGWRUVXUQWGLOX-AFJQJTPPSA-N 		sorgoleone
2-hydroxy-5-methoxy-3-(8'Z,11'Z)-pentadeca-8',11',14'-trienyl-1,4-benzoquinone
2-hydroxy-5-methoxy-3-(8'Z,11'Z)-pentadeca-8',11',14'-trienyl-p-benzoquinone
2-hydroxy-5-methoxy-3-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]cyclohexa-2,5-diene-1,4-dione
2-hydroxy-5-methoxy-3-[(Z,Z)-8',11',14'- pentadecatriene]-p-benzoquinone

metacyc.compound:CPD-10259
metacycM:CPD-10259
FGWRUVXUQWGLOX-AFJQJTPPSA-M 		sorgoleone
2-hydroxy-5-methoxy-3-[(Z,Z)-8',11',14'-pentadecatriene]-p-benzoquinone