Search MNXref
 Feedback

Sonchifolin

PropertiesImage
MNX_IDMNXM130798 Image of MNXM130798
referencechebi:175820
formulaC21H26O6
global charge0
mol weight374.433
InChIKeyDBSZDVZLFLCIOQ-VPXSVSNXSA-N
InChIInChI=1S/C21H26O6/c1-6-13(3)19(22)26-17-11-15(21(24)25-5)9-7-8-12(2)10-16-18(17)14(4)20(23)27-16/h6,9-10,16-18H,4,7-8,11H2,1-3,5H3/b12-10+,13-6-,15-9+
SMILESC=C1C(=O)OC2/C=C(\C)CC/C=C(/C(=O)OC)CC(OC(=O)/C(C)=C\C)C12
MNX internals
InChI (mnx)InChI=1/C21H26O6/c1-6-13(3)19(22)26-17-11-15(21(24)25-5)9-7-8-12(2)10-16-18(17)14(4)20(23)27-16/h6,9-10,16-18H,4,7-8,11H2,1-3,5H3/b12-10+,13-6-,15-9+/t16?,17?,18? Image of MNXM130798
SMILES (mnx)[CH3:1]/[CH:6]=[C:13](/[CH3:3])[C:19](=[O:22])[O:26][CH:17]1[CH2:11]/[C:15]([C:21](=[O:24])[O:25][CH3:5])=[CH:9]\[CH2:7][CH2:8]/[C:12]([CH3:2])=[CH:10]/[CH:16]2[CH:18]1[C:14](=[CH2:4])[C:20](=[O:23])[O:27]2
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:175820
chebi:175820
DBSZDVZLFLCIOQ-VPXSVSNXSA-N 		Sonchifolin
methyl (6E,10E)-10-methyl-4-[(Z)-2-methylbut-2-enoyl]oxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]uran-6-carboxylate
hmdb:HMDB0041139
DBSZDVZLFLCIOQ-VPXSVSNXSA-N 		Sonchifolin
Methyl 10-methyl-4-{[(2Z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-2H,3H,3ah,4H,5H,8H,9H,11ah-cyclodeca[b]furan-6-carboxylic acid
methyl 10-methyl-4-{[(2Z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-6-carboxylate
methyl 10-methyl-4-{[(2Z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-6-carboxylate

hmdb:HMDB41139 		secondary/obsolete/fantasy identifier