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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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20-dihydrorosamicin
Properties
Image
Occurences in reactions
MNX_ID
MNXM147748
#reac
in my sandbox
0
in MNXref (generic)
2
in models (compartimentalized)
0
formula
C
31
H
54
NO
9
charge
1
mass
584.37931
reference
metacycM:CPD-18074
InChIKey
GRMXJKDVOPKCDG-PJIGYSDQSA-O
InChI
InChI=1S/C31H53NO9/c1-9-25-20(5)29-31(6,41-29)12-10-23(34)17(2)14-21(11-13-33)28(19(4)24(35)16-26(36)39-25)40-30-27(37)22(32(7)8)15-18(3)38-30/h10,12,17-22,24-25,27-30,33,35,37H,9,11,13-16H2,1-8H3/p+1/b12-10+/t17-,18-,19+,20-,21+,22+,24-,25-,27-,28-,29?,30-,31?/m1/s1
SMILES
CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@H](CCO)C[C@@H](C)C(=O)/C=C/C2(C)OC2[C@@H]1C
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
metacyc.compound:CPD-18074
metacycM:CPD-18074
seed.compound:cpd35302
seedM:cpd35302
20-dihydrorosamicin
seedM:M_cpd35302
secondary/obsolete/fantasy identifier