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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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fucodiphloroethol G
Properties
Image
MNX_ID
MNXM105241
reference
chebi:65918
formula
C
24
H
18
O
12
global charge
0
mol weight
498.396
InChIKey
DUSGAYNDQIKXHD-UHFFFAOYSA-N
InChI
InChI=1S/C24H18O12/c25-9-1-13(29)21(14(30)2-9)22-15(31)3-11(27)7-19(22)35-24-18(34)6-12(28)8-20(24)36-23-16(32)4-10(26)5-17(23)33/h1-8,25-34H
SMILES
OC1=CC(O)=C(OC2=CC(O)=CC(O)=C2OC2=CC(O)=CC(O)=C2C2=C(O)C=C(O)C=C2O)C(O)=C1
MNX internals
InChI (mnx)
InChI=1/C24H18O12/c25-9-1-13(29)21(14(30)2-9)22-15(31)3-11(27)7-19(22)35-24-18(34)6-12(28)8-20(24)36-23-16(32)4-10(26)5-17(23)33/h1-8,25-34H
SMILES (mnx)
[CH:1]1=[C:9]([OH:25])[CH:2]=[C:14]([OH:30])[C:21]([C:22]2=[C:15]([OH:31])[CH:3]=[C:11]([OH:27])[CH:7]=[C:19]2[O:35][C:24]2=[C:18]([OH:34])[CH:6]=[C:12]([OH:28])[CH:8]=[C:20]2[O:36][C:23]2=[C:16]([OH:32])[CH:4]=[C:10]([OH:26])[CH:5]=[C:17]2[OH:33])=[C:13]1[OH:29]
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:65918
chebi:65918
DUSGAYNDQIKXHD-UHFFFAOYSA-N
fucodiphloroethol G
6'-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]biphenyl-2,2',4,4',6-pentol