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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BE-24566B
Properties
Image
Occurences in reactions
MNX_ID
MNXM102997
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
27
H
24
O
7
charge
0
mass
460.1522
reference
chebi:65474
InChIKey
MDUGEFRGUDVHQH-UHFFFAOYSA-N
InChI
InChI=1S/C27H24O7/c1-11-5-13(28)9-18-19(11)25-20-12(10-27(4,33-18)34-25)6-15-22(23(20)31)24(32)21-16(26(15,2)3)7-14(29)8-17(21)30/h5-9,25,28-31H,10H2,1-4H3
SMILES
Cc1cc(O)cc2c1C1OC(C)(Cc3cc4c(c(O)c31)C(=O)c1c(O)cc(O)cc1C4(C)C)O2
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
CHEBI:65474
chebi:65474
BE-24566B
3,11,13,15-tetrahydroxy-1,6,9,9-tetramethyl-6,7,9,16-tetrahydro-14H-6,16-epoxyanthra[2,3-e]benzo[b]oxocin-14-one
