MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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The Swiss Initiative in Systems Biology
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nigrasin I
Properties
Image
Occurences in reactions
MNX_ID
MNXM107255
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
25
H
26
O
6
charge
0
mass
422.17294
reference
chebi:68020
InChIKey
HNGMUJGQCGQWFH-UHFFFAOYSA-N
InChI
InChI=1S/C25H26O6/c1-6-25(4,5)21-19(29)12-18(28)20-22(30)16(9-7-13(2)3)23(31-24(20)21)15-10-8-14(26)11-17(15)27/h6-8,10-12,26-29H,1,9H2,2-5H3
SMILES
C=CC(C)(C)c1c(O)cc(O)c2c(=O)c(CC=C(C)C)c(-c3ccc(O)cc3O)oc12
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
CHEBI:68020
chebi:68020
nigrasin I
2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(2-methylbut-3-en-2-yl)-3-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
