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Adhumulone

PropertiesImage
MNX_IDMNXM118839 Image of MNXM118839
referencehmdb:HMDB0030138
formulaC21H30O5
global charge0
mol weight362.466
InChIKeyVISQWZWNDCYFMY-UHFFFAOYSA-N
InChIInChI=1S/C21H30O5/c1-7-14(6)17(22)16-18(23)15(9-8-12(2)3)19(24)21(26,20(16)25)11-10-13(4)5/h8,10,14-15,23,26H,7,9,11H2,1-6H3
SMILESCCC(C)C(=O)C1=C(O)C(CC=C(C)C)C(=O)C(O)(CC=C(C)C)C1=O
MNX internals
InChI (mnx)InChI=1/C21H30O5/c1-7-14(6)17(22)16-18(23)15(9-8-12(2)3)19(24)21(26,20(16)25)11-10-13(4)5/h8,10,14-15,23,26H,7,9,11H2,1-6H3/t14?,15?,21? Image of MNXM118839
SMILES (mnx)[CH3:1][CH2:7][CH:14]([CH3:6])[C:17]([C:16]1=[C:18]([OH:23])[CH:15]([CH2:9][CH:8]=[C:12]([CH3:2])[CH3:3])[C:19](=[O:24])[C:21]([CH2:11][CH:10]=[C:13]([CH3:4])[CH3:5])([OH:26])[C:20]1=[O:25])=[O:22]
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
hmdb:HMDB0030138
VISQWZWNDCYFMY-UHFFFAOYSA-N 		Adhumulone
2,5-dihydroxy-2,6-bis(3-methylbut-2-en-1-yl)-4-(2-methylbutanoyl)cyclohex-4-ene-1,3-dione

hmdb:HMDB30138 		secondary/obsolete/fantasy identifier