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

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decussatin

	Properties	Image
MNX_ID	MNXM104264
reference	chebi:65732
formula	C₁₆H₁₄O₆
global charge	0
mol weight	302.282
InChIKey	VYRIGRQQKUZPEX-UHFFFAOYSA-N
InChI	InChI=1S/C16H14O6/c1-19-8-6-9(17)13-12(7-8)22-10-4-5-11(20-2)16(21-3)14(10)15(13)18/h4-7,17H,1-3H3
SMILES	COC1=CC(O)=C2C(=O)C3=C(OC)C(OC)=CC=C3OC2=C1

MNX internals

InChI (mnx)	InChI=1/C16H14O6/c1-19-8-6-9(17)13-12(7-8)22-10-4-5-11(20-2)16(21-3)14(10)15(13)18/h4-7,17H,1-3H3
SMILES (mnx)	[CH3:1][O:19][C:8]1=[CH:6][C:9]([OH:17])=[C:13]2[C:12](=[CH:7]1)[O:22][C:10]1=[C:14]([C:15]2=[O:18])[C:16]([O:21][CH3:3])=[C:11]([O:20][CH3:2])[CH:5]=[CH:4]1

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:65732 chebi:65732 VYRIGRQQKUZPEX-UHFFFAOYSA-N	decussatin 1-hydroxy-3,7,8-trimethoxyxanthone 8-hydroxy-1,2,6-trimethoxy-9H-xanthen-9-one
hmdb:HMDB0250926 VYRIGRQQKUZPEX-UHFFFAOYSA-N	Decussatin 1-Hydroxy-3,7,8-trimethoxyxanthone 8-hydroxy-1,2,6-trimethoxy-9H-xanthen-9-one 8-hydroxy-1,2,6-trimethoxyxanthen-9-one