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humulone

MNXM18572 is deprecated and here replaced by MNXM1368706
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368706 Image of MNXM1368706
referencechebi:5769
formulaC21H30O5
global charge0
mol weight362.466
InChIKeyVMSLCPKYRPDHLN-OAQYLSRUSA-N
InChIInChI=1S/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14,23-24,26H,8,10-11H2,1-6H3/t21-/m1/s1
SMILESCC(C)=CCC1=C(O)[C@](O)(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C1O
MNX internals
InChI (mnx)InChI=1/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14,23-24,26H,8,10-11H2,1-6H3/t21-/m1/s1 Image of MNXM1368706
SMILES (mnx)[CH3:1][C:12]([CH3:2])=[CH:7][CH2:8][C:15]1=[C:19]([OH:24])[C@@:21]([CH2:10][CH:9]=[C:13]([CH3:3])[CH3:4])([OH:26])[C:20](=[O:25])[C:17]([C:16]([CH2:11][CH:14]([CH3:5])[CH3:6])=[O:22])=[C:18]1[OH:23]
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:5769
chebi:5769
VMSLCPKYRPDHLN-OAQYLSRUSA-N 		humulone
(6R)-3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-en-1-yl)cyclohexa-2,4-dien-1-one
(6R)-3,5,6-trihydroxy-2-isovaleryl-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dienone
Humulone
alpha-humulon
humulon

kegg.compound:C10695
keggC:C10695
VMSLCPKYRPDHLN-OAQYLSRUSA-N 		Humulone

metacyc.compound:CPD-7106
metacycM:CPD-7106
VMSLCPKYRPDHLN-OAQYLSRUSA-M 		humulone
(6R)-3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)cyclo

keggC:M_C10695 		secondary/obsolete/fantasy identifier