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Lunatone

PropertiesImage
MNX_IDMNXM60470 Image of MNXM60470
referencelipidmapsM:LMPK12050281
formulaC20H18O7
global charge0
mol weight370.357
InChIKeyUQLCEZCBCSBXKA-UHFFFAOYSA-N
InChIInChI=1S/C20H18O7/c1-20(2,25)16-6-11-15(27-16)7-14(23)17-18(24)12(8-26-19(11)17)10-4-3-9(21)5-13(10)22/h3-5,7-8,16,21-23,25H,6H2,1-2H3
SMILESCC(C)(O)C1CC2=C(C=C(O)C3=C2OC=C(C2=C(O)C=C(O)C=C2)C3=O)O1
MNX internals
InChI (mnx)InChI=1/C20H18O7/c1-20(2,25)16-6-11-15(27-16)7-14(23)17-18(24)12(8-26-19(11)17)10-4-3-9(21)5-13(10)22/h3-5,7-8,16,21-23,25H,6H2,1-2H3/t16? Image of MNXM60470
SMILES (mnx)[CH3:1][C:20]([CH3:2])([CH:16]1[CH2:6][C:11]2=[C:15]([CH:7]=[C:14]([OH:23])[C:17]3=[C:19]2[O:26][CH:8]=[C:12]([C:10]2=[C:13]([OH:22])[CH:5]=[C:9]([OH:21])[CH:3]=[CH:4]2)[C:18]3=[O:24])[O:27]1)[OH:25]
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

lipidmaps:LMPK12050281
lipidmapsM:LMPK12050281
UQLCEZCBCSBXKA-UHFFFAOYSA-N 		Lunatone