MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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heliocide B4
Properties
Image
Occurences in reactions
MNX_ID
MNXM18316
#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-9748
InChIKey
LTDXHSVIDXPYBK-UHFFFAOYSA-M
InChI
InChI=1S/C26H32O5/c1-13(2)8-10-17-15(5)9-11-18-23(29)20-16(12-27)22(28)24(31-7)19(14(3)4)21(20)25(30)26(17,18)6/h8-9,12,14,17-18,28H,10-11H2,1-7H3/p-1
SMILES
COc1c([O-])c(C=O)c2c(c1C(C)C)C(=O)C1(C)C(CC=C(C)C1CC=C(C)C)C2=O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
metacyc.compound:CPD-9748
metacycM:CPD-9748
heliocide B4
seed.compound:cpd25818
seedM:cpd25818
HB4
heliocide B4
seedM:M_cpd25818
secondary/obsolete/fantasy identifier