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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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chaetochromin D
Properties
Image
Occurences in reactions
MNX_ID
MNXM103668
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
30
H
24
O
10
charge
0
mass
544.13695
reference
chebi:68800
InChIKey
OXYDHUNPMSPUCC-ONGXEEELSA-N
InChI
InChI=1S/C30H24O10/c1-9-11(3)39-19-5-13-21(15(31)7-17(33)23(13)29(37)25(19)27(9)35)22-14-6-20-26(28(36)10(2)12(4)40-20)30(38)24(14)18(34)8-16(22)32/h5-9,11,31-34,37-38H,1-4H3/t9-,11-/m0/s1
SMILES
Cc1oc2cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@@H](C)[C@H](C)C6=O)c(O)cc(O)c3c(O)c2c(=O)c1C
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
CHEBI:68800
chebi:68800
chaetochromin D
(2S,3S)-5,5',6,6',8,8'-hexahydroxy-2,2',3,3'-tetramethyl-2,3-dihydro-4H,4'H-9,9'-bibenzo[g]chromene-4,4'-dione