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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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heliocide B3
Properties
Image
Occurences in reactions
MNX_ID
MNXM18315
#reac
in my sandbox
0
in MNXref (generic)
2
in models (compartimentalized)
0
formula
C
26
H
31
O
5
charge
-1
mass
423.2177
reference
metacycM:CPD-9747
InChIKey
YAHBSDIPFPMSAO-UHFFFAOYSA-M
InChI
InChI=1S/C26H32O5/c1-14(2)8-7-9-16-10-11-18-23(29)20-17(13-27)22(28)24(31-6)19(15(3)4)21(20)25(30)26(18,5)12-16/h8,10,13,15,18,28H,7,9,11-12H2,1-6H3/p-1
SMILES
COc1c([O-])c(C=O)c2c(c1C(C)C)C(=O)C1(C)CC(CCC=C(C)C)=CCC1C2=O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
metacyc.compound:CPD-9747
metacycM:CPD-9747
heliocide B3
seed.compound:cpd25817
seedM:cpd25817
HB3
heliocide B3
seedM:M_cpd25817
secondary/obsolete/fantasy identifier