MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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Kanzonol M

	Properties	Image
MNX_ID	MNXM127069
reference	chebi:171678
formula	C₂₃H₂₆O₆
global charge	0
mol weight	398.455
InChIKey	KZQAGRHRFKIERV-UHFFFAOYSA-N
InChI	InChI=1S/C23H26O6/c1-13(2)5-6-16-20(27-3)8-7-15(22(16)26)14-9-17-21(28-4)10-19(25)18(11-24)23(17)29-12-14/h5,7-8,10-11,14,25-26H,6,9,12H2,1-4H3
SMILES	COC1=CC(O)=C(C=O)C2=C1CC(C1=C(O)C(CC=C(C)C)=C(OC)C=C1)CO2

MNX internals

InChI (mnx)	InChI=1/C23H26O6/c1-13(2)5-6-16-20(27-3)8-7-15(22(16)26)14-9-17-21(28-4)10-19(25)18(11-24)23(17)29-12-14/h5,7-8,10-11,14,25-26H,6,9,12H2,1-4H3/t14?
SMILES (mnx)	[CH3:1][C:13]([CH3:2])=[CH:5][CH2:6][C:16]1=[C:20]([O:27][CH3:3])[CH:8]=[CH:7][C:15]([CH:14]2[CH2:9][C:17]3=[C:21]([O:28][CH3:4])[CH:10]=[C:19]([OH:25])[C:18]([CH:11]=[O:24])=[C:23]3[O:29][CH2:12]2)=[C:22]1[OH:26]

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
Identifier	Description
CHEBI:171678 chebi:171678 KZQAGRHRFKIERV-UHFFFAOYSA-N	Kanzonol M 7-hydroxy-3-[2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]-5-methoxy-3,4-dihydro-2H-chromene-8-carbaldehyde
hmdb:HMDB0041101 KZQAGRHRFKIERV-UHFFFAOYSA-N	Kanzonol M 7-hydroxy-3-[2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-5-methoxy-3,4-dihydro-2H-1-benzopyran-8-carbaldehyde
hmdb:HMDB41101	secondary/obsolete/fantasy identifier