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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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novclobiocin 102
Properties
Image
Occurences in reactions
MNX_ID
MNXM1100899
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
36
H
39
N
2
O
11
charge
-1
mass
675.25593
reference
metacycM:CPD-15510
InChIKey
ZATPHMBOGMQGLL-XSSHFUAWSA-M
InChI
InChI=1S/C36H40N2O11/c1-17(2)8-10-20-16-21(11-14-24(20)39)32(42)38-26-27(40)22-12-15-25(19(4)29(22)47-34(26)44)46-35-28(41)30(31(45-7)36(5,6)49-35)48-33(43)23-13-9-18(3)37-23/h8-9,11-16,28,30-31,35,37,39-41H,10H2,1-7H3,(H,38,42)/p-1/t28-,30+,31-,35-/m1/s1
SMILES
CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
metacyc.compound:CPD-15510
metacycM:CPD-15510
seed.compound:cpd35586
seedM:cpd35586
novclobiocin 102
seedM:M_cpd35586
secondary/obsolete/fantasy identifier