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Cohumulone

PropertiesImage
MNX_IDMNXM1129469 Image of MNXM1129469
referencechebi:175443
formulaC20H28O5
global charge0
mol weight348.439
InChIKeyDRSITEVYZGOOQG-UHFFFAOYSA-N
InChIInChI=1S/C20H28O5/c1-11(2)7-8-14-17(22)15(16(21)13(5)6)19(24)20(25,18(14)23)10-9-12(3)4/h7,9,13,22-23,25H,8,10H2,1-6H3
SMILESCC(C)=CCC1=C(O)C(O)(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C1O
MNX internals
InChI (mnx)InChI=1/C20H28O5/c1-11(2)7-8-14-17(22)15(16(21)13(5)6)19(24)20(25,18(14)23)10-9-12(3)4/h7,9,13,22-23,25H,8,10H2,1-6H3/t20? Image of MNXM1129469
SMILES (mnx)[CH3:1][C:11]([CH3:2])=[CH:7][CH2:8][C:14]1=[C:18]([OH:23])[C:20]([CH2:10][CH:9]=[C:12]([CH3:3])[CH3:4])([OH:25])[C:19](=[O:24])[C:15]([C:16]([CH:13]([CH3:5])[CH3:6])=[O:21])=[C:17]1[OH: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

CHEBI:175443
chebi:175443
DRSITEVYZGOOQG-UHFFFAOYSA-N 		Cohumulone
3,5,6-trihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one