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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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brasixanthone C
Properties
Image
Occurences in reactions
MNX_ID
MNXM103267
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
23
H
22
O
7
charge
0
mass
410.13655
reference
chebi:65520
InChIKey
JSZZQWZCXGLNKJ-UHFFFAOYSA-N
InChI
InChI=1S/C23H22O7/c1-11(2)17(30-27)10-15-21-13(7-8-23(3,4)29-21)19(25)18-20(26)14-9-12(24)5-6-16(14)28-22(15)18/h5-9,17,24-25,27H,1,10H2,2-4H3
SMILES
C=C(C)C(Cc1c2c(c(O)c3c(=O)c4cc(O)ccc4oc13)C=CC(C)(C)O2)OO
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
CHEBI:65520
chebi:65520
brasixanthone C
12-(2-hydroperoxy-3-methylbut-3-en-1-yl)-5,8-dihydroxy-2,2-dimethyl-2H,6H-pyrano[3,2-b]xanthen-6-one