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

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Honyudisin

	Properties	Image
MNX_ID	MNXM126543
reference	chebi:174996
formula	C₁₉H₂₀O₄
global charge	0
mol weight	312.365
InChIKey	QMEMHCMQAQFMEL-UHFFFAOYSA-N
InChI	InChI=1S/C19H20O4/c1-11(2)5-6-13-16(21)12-7-8-15(20)22-17(12)14-9-10-19(3,4)23-18(13)14/h5,7-10,21H,6H2,1-4H3
SMILES	CC(C)=CCC1=C(O)C2=C(OC(=O)C=C2)C2=C1OC(C)(C)C=C2

MNX internals

InChI (mnx)	InChI=1/C19H20O4/c1-11(2)5-6-13-16(21)12-7-8-15(20)22-17(12)14-9-10-19(3,4)23-18(13)14/h5,7-10,21H,6H2,1-4H3
SMILES (mnx)	[CH3:1][C:11]([CH3:2])=[CH:5][CH2:6][C:13]1=[C:18]2[C:14](=[C:17]3[C:12](=[C:16]1[OH:21])[CH:7]=[CH:8][C:15](=[O:20])[O:22]3)[CH:9]=[CH:10][C:19]([CH3:3])([CH3:4])[O:23]2

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:174996 chebi:174996 QMEMHCMQAQFMEL-UHFFFAOYSA-N	Honyudisin 5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-]chromen-2-one
hmdb:HMDB0033535 QMEMHCMQAQFMEL-UHFFFAOYSA-N	Honyudisin 5-Hydroxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one, 9ci 5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-en-1-yl)-2H,8H-pyrano[2,3-f]chromen-2-one 5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-en-1-yl)pyrano[2,3-f]chromen-2-one
hmdb:HMDB33535	secondary/obsolete/fantasy identifier