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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:49 UTC
Update Date2022-03-07 02:51:36 UTC
HMDB IDHMDB0014401
Secondary Accession Numbers
  • HMDB14401
Metabolite Identification
Common NameLymecycline
DescriptionLymecycline is only found in individuals that have used or taken this drug. It is a tetracycline with a 7-chloro substitution.Lymecycline inhibits cell growth by inhibiting translation. It binds to the 30S ribosomal subunit and prevents the amino-acyl tRNA from binding to the A site of the ribosome. The binding is reversible in nature. Lymecycline is lipophilic and can easily pass through the cell membrane or passively diffuses through porin channels in the bacterial membrane. Cells become resistant to lymecycline by at least two mechanisms: efflux and ribosomal protection. In efflux, a resistance gene encodes a membrane protein that actively pumps lymecycline out of the cell. This is the mechanism of action of the tetracycline resistance gene on the artificial plasmid pBR322. In ribosomal protection, a resistance gene encodes a protein which binds to the ribosome and prevents lymecycline from acting on the ribosome.
Structure
Data?1582753175
Synonyms
ValueSource
(+)-N-(5-Amino-5-carboxypentylaminomethyl)-4-dimethylamino-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxonaphthacene-2-carboxamideChEBI
LimeciclinaChEBI
LymecyclinumChEBI
N-LysinomethyltetracyclineChEBI
N(2)-(((+)-5-Amino-5-carboxypentylamino)methyl)tetracyclineChEBI
N6-((4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamido)methyl)lysineChEBI
Tetracycline-L-methylene lysineChEBI
Tetracycline-L-methylenelysineChEBI
7-ChlorotetracyclineHMDB
ChlorotetracyclineHMDB
ChlortetracyclinHMDB
ChlortetracyclineHMDB
Chlortetracyclinium chlorideHMDB
CLTCHMDB
Chemical FormulaC29H38N4O10
Average Molecular Weight602.6328
Monoisotopic Molecular Weight602.258793456
IUPAC Name(2S)-6-[({[(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracen-2-yl]formamido}methyl)amino]-2-aminohexanoic acid
Traditional Namelymecycline
CAS Registry Number992-21-2
SMILES
[H][C@@]12C[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCNCCCC[C@H](N)C(O)=O)=C(O)[C@H]2N(C)C
InChI Identifier
InChI=1S/C29H38N4O10/c1-28(42)13-7-6-9-17(34)18(13)22(35)19-14(28)11-15-21(33(2)3)23(36)20(25(38)29(15,43)24(19)37)26(39)32-12-31-10-5-4-8-16(30)27(40)41/h6-7,9,14-16,21,31,34,36-37,42-43H,4-5,8,10-12,30H2,1-3H3,(H,32,39)(H,40,41)/t14-,15-,16-,21-,28+,29-/m0/s1
InChI KeyAHEVKYYGXVEWNO-UEPZRUIBSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as tetracyclines. These are polyketides having an octahydrotetracene-2-carboxamide skeleton, substituted with many hydroxy and other groups.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassTetracyclines
Sub ClassNot Available
Direct ParentTetracyclines
Alternative Parents
Substituents
  • Tetracycline
  • Naphthacene
  • Tetracene
  • Anthracene carboxylic acid or derivatives
  • Tetralin
  • L-alpha-amino acid
  • Alpha-amino acid
  • Alpha-amino acid or derivatives
  • Aryl ketone
  • Medium-chain fatty acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Amino fatty acid
  • Cyclohexenone
  • 1-hydroxy-4-unsubstituted benzenoid
  • Aralkylamine
  • Hydroxy fatty acid
  • Fatty acyl
  • Benzenoid
  • Vinylogous acid
  • Tertiary alcohol
  • Amino acid
  • Secondary carboxylic acid amide
  • Carboxamide group
  • Amino acid or derivatives
  • Ketone
  • Tertiary amine
  • Tertiary aliphatic amine
  • Secondary amine
  • Carboxylic acid derivative
  • Carboxylic acid
  • Secondary aliphatic amine
  • Enol
  • Polyol
  • Monocarboxylic acid or derivatives
  • Amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Alcohol
  • Carbonyl group
  • Organopnictogen compound
  • Primary amine
  • Organic oxide
  • Primary aliphatic amine
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Aromatic homopolycyclic compound
Molecular FrameworkAromatic homopolycyclic compounds
External Descriptors
Ontology
Disposition

Biological location

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility1.31 g/LNot Available
LogP0.3Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.31 g/LALOGPS
logP-0.27ALOGPS
logP-8.3ChemAxon
logS-2.7ALOGPS
pKa (Strongest Acidic)0.4ChemAxon
pKa (Strongest Basic)9.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count13ChemAxon
Hydrogen Donor Count9ChemAxon
Polar Surface Area242.98 ŲChemAxon
Rotatable Bond Count10ChemAxon
Refractivity154.51 m³·mol⁻¹ChemAxon
Polarizability62.88 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M-2H]-261.67330932474
DeepCCS[M+Na]+236.04230932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Lymecycline[H][C@@]12C[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCNCCCC[C@H](N)C(O)=O)=C(O)[C@H]2N(C)C5796.6Standard polar33892256
Lymecycline[H][C@@]12C[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCNCCCC[C@H](N)C(O)=O)=C(O)[C@H]2N(C)C3698.8Standard non polar33892256
Lymecycline[H][C@@]12C[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCNCCCC[C@H](N)C(O)=O)=C(O)[C@H]2N(C)C4835.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Lymecycline,1TMS,isomer #1CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124727.8Semi standard non polar33892256
Lymecycline,1TMS,isomer #2CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124715.1Semi standard non polar33892256
Lymecycline,1TMS,isomer #3CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124601.3Semi standard non polar33892256
Lymecycline,1TMS,isomer #4CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124730.5Semi standard non polar33892256
Lymecycline,1TMS,isomer #5CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124657.5Semi standard non polar33892256
Lymecycline,1TMS,isomer #6CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124658.7Semi standard non polar33892256
Lymecycline,1TMS,isomer #7CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124749.3Semi standard non polar33892256
Lymecycline,1TMS,isomer #8CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124649.4Semi standard non polar33892256
Lymecycline,1TMS,isomer #9CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124732.5Semi standard non polar33892256
Lymecycline,2TMS,isomer #1CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124570.7Semi standard non polar33892256
Lymecycline,2TMS,isomer #10CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124556.2Semi standard non polar33892256
Lymecycline,2TMS,isomer #11CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124622.4Semi standard non polar33892256
Lymecycline,2TMS,isomer #12CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124525.2Semi standard non polar33892256
Lymecycline,2TMS,isomer #13CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124658.8Semi standard non polar33892256
Lymecycline,2TMS,isomer #14CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124541.6Semi standard non polar33892256
Lymecycline,2TMS,isomer #15CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124646.1Semi standard non polar33892256
Lymecycline,2TMS,isomer #16CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124462.3Semi standard non polar33892256
Lymecycline,2TMS,isomer #17CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124492.2Semi standard non polar33892256
Lymecycline,2TMS,isomer #18CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124542.7Semi standard non polar33892256
Lymecycline,2TMS,isomer #19CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124561.7Semi standard non polar33892256
Lymecycline,2TMS,isomer #2CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124579.3Semi standard non polar33892256
Lymecycline,2TMS,isomer #20CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124435.2Semi standard non polar33892256
Lymecycline,2TMS,isomer #21CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124536.2Semi standard non polar33892256
Lymecycline,2TMS,isomer #22CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124581.3Semi standard non polar33892256
Lymecycline,2TMS,isomer #23CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124580.1Semi standard non polar33892256
Lymecycline,2TMS,isomer #24CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124676.2Semi standard non polar33892256
Lymecycline,2TMS,isomer #25CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124581.3Semi standard non polar33892256
Lymecycline,2TMS,isomer #26CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124667.5Semi standard non polar33892256
Lymecycline,2TMS,isomer #27CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124521.4Semi standard non polar33892256
Lymecycline,2TMS,isomer #28CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124613.0Semi standard non polar33892256
Lymecycline,2TMS,isomer #29CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124483.5Semi standard non polar33892256
Lymecycline,2TMS,isomer #3CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124645.3Semi standard non polar33892256
Lymecycline,2TMS,isomer #30CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124595.7Semi standard non polar33892256
Lymecycline,2TMS,isomer #31CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124612.1Semi standard non polar33892256
Lymecycline,2TMS,isomer #32CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124480.9Semi standard non polar33892256
Lymecycline,2TMS,isomer #33CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124589.8Semi standard non polar33892256
Lymecycline,2TMS,isomer #34CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124584.4Semi standard non polar33892256
Lymecycline,2TMS,isomer #35CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124690.9Semi standard non polar33892256
Lymecycline,2TMS,isomer #36CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124723.8Semi standard non polar33892256
Lymecycline,2TMS,isomer #37CN(C)[C@@H]1C(O)=C(C(=O)N(CN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124564.7Semi standard non polar33892256
Lymecycline,2TMS,isomer #4CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124559.2Semi standard non polar33892256
Lymecycline,2TMS,isomer #5CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124645.1Semi standard non polar33892256
Lymecycline,2TMS,isomer #6CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124671.7Semi standard non polar33892256
Lymecycline,2TMS,isomer #7CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124555.1Semi standard non polar33892256
Lymecycline,2TMS,isomer #8CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124671.9Semi standard non polar33892256
Lymecycline,2TMS,isomer #9CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124555.2Semi standard non polar33892256
Lymecycline,3TMS,isomer #1CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124477.6Semi standard non polar33892256
Lymecycline,3TMS,isomer #10CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124530.1Semi standard non polar33892256
Lymecycline,3TMS,isomer #11CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124569.2Semi standard non polar33892256
Lymecycline,3TMS,isomer #12CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124439.5Semi standard non polar33892256
Lymecycline,3TMS,isomer #13CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124562.0Semi standard non polar33892256
Lymecycline,3TMS,isomer #14CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124531.1Semi standard non polar33892256
Lymecycline,3TMS,isomer #15CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124571.7Semi standard non polar33892256
Lymecycline,3TMS,isomer #16CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124626.2Semi standard non polar33892256
Lymecycline,3TMS,isomer #17CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124514.9Semi standard non polar33892256
Lymecycline,3TMS,isomer #18CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124614.0Semi standard non polar33892256
Lymecycline,3TMS,isomer #19CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124527.7Semi standard non polar33892256
Lymecycline,3TMS,isomer #2CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124521.7Semi standard non polar33892256
Lymecycline,3TMS,isomer #20CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124562.1Semi standard non polar33892256
Lymecycline,3TMS,isomer #21CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124434.2Semi standard non polar33892256
Lymecycline,3TMS,isomer #22CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124544.1Semi standard non polar33892256
Lymecycline,3TMS,isomer #23CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124631.4Semi standard non polar33892256
Lymecycline,3TMS,isomer #24CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124503.8Semi standard non polar33892256
Lymecycline,3TMS,isomer #25CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124625.0Semi standard non polar33892256
Lymecycline,3TMS,isomer #26CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124531.1Semi standard non polar33892256
Lymecycline,3TMS,isomer #27CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124662.3Semi standard non polar33892256
Lymecycline,3TMS,isomer #28CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124681.6Semi standard non polar33892256
Lymecycline,3TMS,isomer #29CN(C)[C@@H]1C(O)=C(C(=O)N(CN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124525.1Semi standard non polar33892256
Lymecycline,3TMS,isomer #3CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124466.7Semi standard non polar33892256
Lymecycline,3TMS,isomer #30CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124435.0Semi standard non polar33892256
Lymecycline,3TMS,isomer #31CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124479.8Semi standard non polar33892256
Lymecycline,3TMS,isomer #32CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124406.8Semi standard non polar33892256
Lymecycline,3TMS,isomer #33CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124524.7Semi standard non polar33892256
Lymecycline,3TMS,isomer #34CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124406.1Semi standard non polar33892256
Lymecycline,3TMS,isomer #35CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124517.2Semi standard non polar33892256
Lymecycline,3TMS,isomer #36CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124478.3Semi standard non polar33892256
Lymecycline,3TMS,isomer #37CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124418.4Semi standard non polar33892256
Lymecycline,3TMS,isomer #38CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124534.4Semi standard non polar33892256
Lymecycline,3TMS,isomer #39CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124406.9Semi standard non polar33892256
Lymecycline,3TMS,isomer #4CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124516.5Semi standard non polar33892256
Lymecycline,3TMS,isomer #40CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124528.1Semi standard non polar33892256
Lymecycline,3TMS,isomer #41CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124472.8Semi standard non polar33892256
Lymecycline,3TMS,isomer #42CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124591.0Semi standard non polar33892256
Lymecycline,3TMS,isomer #43CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124489.4Semi standard non polar33892256
Lymecycline,3TMS,isomer #44CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124578.0Semi standard non polar33892256
Lymecycline,3TMS,isomer #45CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124507.1Semi standard non polar33892256
Lymecycline,3TMS,isomer #46CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124388.8Semi standard non polar33892256
Lymecycline,3TMS,isomer #47CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124495.2Semi standard non polar33892256
Lymecycline,3TMS,isomer #48CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124510.6Semi standard non polar33892256
Lymecycline,3TMS,isomer #49CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124638.8Semi standard non polar33892256
Lymecycline,3TMS,isomer #5CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124559.2Semi standard non polar33892256
Lymecycline,3TMS,isomer #50CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124657.7Semi standard non polar33892256
Lymecycline,3TMS,isomer #51CN(C)[C@@H]1C(O)=C(C(=O)N(CN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124502.7Semi standard non polar33892256
Lymecycline,3TMS,isomer #52CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124384.1Semi standard non polar33892256
Lymecycline,3TMS,isomer #53CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124429.1Semi standard non polar33892256
Lymecycline,3TMS,isomer #54CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124455.8Semi standard non polar33892256
Lymecycline,3TMS,isomer #55CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124344.6Semi standard non polar33892256
Lymecycline,3TMS,isomer #56CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124435.3Semi standard non polar33892256
Lymecycline,3TMS,isomer #57CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124453.8Semi standard non polar33892256
Lymecycline,3TMS,isomer #58CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124473.5Semi standard non polar33892256
Lymecycline,3TMS,isomer #59CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124355.6Semi standard non polar33892256
Lymecycline,3TMS,isomer #6CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124432.4Semi standard non polar33892256
Lymecycline,3TMS,isomer #60CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124458.7Semi standard non polar33892256
Lymecycline,3TMS,isomer #61CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124522.9Semi standard non polar33892256
Lymecycline,3TMS,isomer #62CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124421.2Semi standard non polar33892256
Lymecycline,3TMS,isomer #63CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124508.9Semi standard non polar33892256
Lymecycline,3TMS,isomer #64CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124437.5Semi standard non polar33892256
Lymecycline,3TMS,isomer #65CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124542.0Semi standard non polar33892256
Lymecycline,3TMS,isomer #66CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124570.8Semi standard non polar33892256
Lymecycline,3TMS,isomer #67CN(C)[C@@H]1C(O)=C(C(=O)N(CN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124430.4Semi standard non polar33892256
Lymecycline,3TMS,isomer #68CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124460.1Semi standard non polar33892256
Lymecycline,3TMS,isomer #69CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124543.8Semi standard non polar33892256
Lymecycline,3TMS,isomer #7CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124544.2Semi standard non polar33892256
Lymecycline,3TMS,isomer #70CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124427.2Semi standard non polar33892256
Lymecycline,3TMS,isomer #71CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124528.7Semi standard non polar33892256
Lymecycline,3TMS,isomer #72CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124552.3Semi standard non polar33892256
Lymecycline,3TMS,isomer #73CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124446.4Semi standard non polar33892256
Lymecycline,3TMS,isomer #74CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124537.6Semi standard non polar33892256
Lymecycline,3TMS,isomer #75CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124543.1Semi standard non polar33892256
Lymecycline,3TMS,isomer #76CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124644.6Semi standard non polar33892256
Lymecycline,3TMS,isomer #77CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124671.5Semi standard non polar33892256
Lymecycline,3TMS,isomer #78CN(C)[C@@H]1C(O)=C(C(=O)N(CN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124534.7Semi standard non polar33892256
Lymecycline,3TMS,isomer #79CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124483.9Semi standard non polar33892256
Lymecycline,3TMS,isomer #8CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124528.5Semi standard non polar33892256
Lymecycline,3TMS,isomer #80CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124366.3Semi standard non polar33892256
Lymecycline,3TMS,isomer #81CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124480.3Semi standard non polar33892256
Lymecycline,3TMS,isomer #82CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124453.9Semi standard non polar33892256
Lymecycline,3TMS,isomer #83CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124586.2Semi standard non polar33892256
Lymecycline,3TMS,isomer #84CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124626.5Semi standard non polar33892256
Lymecycline,3TMS,isomer #85CN(C)[C@@H]1C(O)=C(C(=O)N(CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124456.6Semi standard non polar33892256
Lymecycline,3TMS,isomer #86CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N(CNCCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124462.0Semi standard non polar33892256
Lymecycline,3TMS,isomer #87CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCN(CCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124571.2Semi standard non polar33892256
Lymecycline,3TMS,isomer #88CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124604.3Semi standard non polar33892256
Lymecycline,3TMS,isomer #89CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N(CN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124457.2Semi standard non polar33892256
Lymecycline,3TMS,isomer #9CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124482.8Semi standard non polar33892256
Lymecycline,3TMS,isomer #90CN(C)[C@@H]1C(O)=C(C(=O)N(CN(CCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124550.1Semi standard non polar33892256
Lymecycline,3TMS,isomer #91CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124606.4Semi standard non polar33892256
Lymecycline,3TMS,isomer #92CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124696.0Semi standard non polar33892256
Lymecycline,4TMS,isomer #1CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124443.6Semi standard non polar33892256
Lymecycline,4TMS,isomer #10CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124408.0Semi standard non polar33892256
Lymecycline,4TMS,isomer #100CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124552.1Semi standard non polar33892256
Lymecycline,4TMS,isomer #101CN(C)[C@@H]1C(O)=C(C(=O)N(CN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124406.2Semi standard non polar33892256
Lymecycline,4TMS,isomer #102CN(C)[C@@H]1C(O)=C(C(=O)N(CN(CCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124511.3Semi standard non polar33892256
Lymecycline,4TMS,isomer #103CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124567.0Semi standard non polar33892256
Lymecycline,4TMS,isomer #104CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124663.8Semi standard non polar33892256
Lymecycline,4TMS,isomer #105CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124356.1Semi standard non polar33892256
Lymecycline,4TMS,isomer #106CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124401.2Semi standard non polar33892256
Lymecycline,4TMS,isomer #107CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124284.6Semi standard non polar33892256
Lymecycline,4TMS,isomer #108CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124383.1Semi standard non polar33892256
Lymecycline,4TMS,isomer #109CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124453.5Semi standard non polar33892256
Lymecycline,4TMS,isomer #11CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124520.8Semi standard non polar33892256
Lymecycline,4TMS,isomer #110CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124324.1Semi standard non polar33892256
Lymecycline,4TMS,isomer #111CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124427.0Semi standard non polar33892256
Lymecycline,4TMS,isomer #112CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N(CNCCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124368.2Semi standard non polar33892256
Lymecycline,4TMS,isomer #113CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCN(CCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124479.0Semi standard non polar33892256
Lymecycline,4TMS,isomer #114CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124507.7Semi standard non polar33892256
Lymecycline,4TMS,isomer #115CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N(CN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124378.9Semi standard non polar33892256
Lymecycline,4TMS,isomer #116CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124448.1Semi standard non polar33892256
Lymecycline,4TMS,isomer #117CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124343.6Semi standard non polar33892256
Lymecycline,4TMS,isomer #118CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124439.9Semi standard non polar33892256
Lymecycline,4TMS,isomer #119CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124364.6Semi standard non polar33892256
Lymecycline,4TMS,isomer #12CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124447.0Semi standard non polar33892256
Lymecycline,4TMS,isomer #120CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124476.5Semi standard non polar33892256
Lymecycline,4TMS,isomer #121CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124526.2Semi standard non polar33892256
Lymecycline,4TMS,isomer #122CN(C)[C@@H]1C(O)=C(C(=O)N(CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124373.2Semi standard non polar33892256
Lymecycline,4TMS,isomer #123CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124432.1Semi standard non polar33892256
Lymecycline,4TMS,isomer #124CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124528.2Semi standard non polar33892256
Lymecycline,4TMS,isomer #125CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124568.6Semi standard non polar33892256
Lymecycline,4TMS,isomer #126CN(C)[C@@H]1C(O)=C(C(=O)N(CN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124427.8Semi standard non polar33892256
Lymecycline,4TMS,isomer #127CN(C)[C@@H]1C(O)=C(C(=O)N(CN(CCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124458.8Semi standard non polar33892256
Lymecycline,4TMS,isomer #128CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124507.7Semi standard non polar33892256
Lymecycline,4TMS,isomer #129CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124591.4Semi standard non polar33892256
Lymecycline,4TMS,isomer #13CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124499.8Semi standard non polar33892256
Lymecycline,4TMS,isomer #130CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124457.7Semi standard non polar33892256
Lymecycline,4TMS,isomer #131CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124339.5Semi standard non polar33892256
Lymecycline,4TMS,isomer #132CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124445.2Semi standard non polar33892256
Lymecycline,4TMS,isomer #133CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N(CNCCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124433.4Semi standard non polar33892256
Lymecycline,4TMS,isomer #134CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCN(CCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124541.8Semi standard non polar33892256
Lymecycline,4TMS,isomer #135CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124576.5Semi standard non polar33892256
Lymecycline,4TMS,isomer #136CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N(CN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124434.6Semi standard non polar33892256
Lymecycline,4TMS,isomer #137CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124431.7Semi standard non polar33892256
Lymecycline,4TMS,isomer #138CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124539.5Semi standard non polar33892256
Lymecycline,4TMS,isomer #139CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124586.7Semi standard non polar33892256
Lymecycline,4TMS,isomer #14CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124372.0Semi standard non polar33892256
Lymecycline,4TMS,isomer #140CN(C)[C@@H]1C(O)=C(C(=O)N(CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124438.9Semi standard non polar33892256
Lymecycline,4TMS,isomer #141CN(C)[C@@H]1C(O)=C(C(=O)N(CN(CCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124526.1Semi standard non polar33892256
Lymecycline,4TMS,isomer #142CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124582.0Semi standard non polar33892256
Lymecycline,4TMS,isomer #143CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124663.5Semi standard non polar33892256
Lymecycline,4TMS,isomer #144CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N(CNCCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124370.1Semi standard non polar33892256
Lymecycline,4TMS,isomer #145CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCN(CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124486.2Semi standard non polar33892256
Lymecycline,4TMS,isomer #146CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124536.1Semi standard non polar33892256
Lymecycline,4TMS,isomer #147CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N(CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124387.3Semi standard non polar33892256
Lymecycline,4TMS,isomer #148CN(C)[C@@H]1C(O)=C(C(=O)N(CN(CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124462.8Semi standard non polar33892256
Lymecycline,4TMS,isomer #149CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124530.5Semi standard non polar33892256
Lymecycline,4TMS,isomer #15CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124472.2Semi standard non polar33892256
Lymecycline,4TMS,isomer #150CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124624.8Semi standard non polar33892256
Lymecycline,4TMS,isomer #151CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N(CN(CCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124472.4Semi standard non polar33892256
Lymecycline,4TMS,isomer #152CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N(CNCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124518.0Semi standard non polar33892256
Lymecycline,4TMS,isomer #153CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124608.4Semi standard non polar33892256
Lymecycline,4TMS,isomer #154CN(C)[C@@H]1C(O)=C(C(=O)N(CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124611.1Semi standard non polar33892256
Lymecycline,4TMS,isomer #16CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124545.6Semi standard non polar33892256
Lymecycline,4TMS,isomer #17CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124417.7Semi standard non polar33892256
Lymecycline,4TMS,isomer #18CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124528.9Semi standard non polar33892256
Lymecycline,4TMS,isomer #19CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N(CNCCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124452.7Semi standard non polar33892256
Lymecycline,4TMS,isomer #2CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124406.2Semi standard non polar33892256
Lymecycline,4TMS,isomer #20CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCN(CCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124576.1Semi standard non polar33892256
Lymecycline,4TMS,isomer #21CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124600.5Semi standard non polar33892256
Lymecycline,4TMS,isomer #22CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N(CN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124458.3Semi standard non polar33892256
Lymecycline,4TMS,isomer #23CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124454.5Semi standard non polar33892256
Lymecycline,4TMS,isomer #24CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124475.1Semi standard non polar33892256
Lymecycline,4TMS,isomer #25CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124535.9Semi standard non polar33892256
Lymecycline,4TMS,isomer #26CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124418.6Semi standard non polar33892256
Lymecycline,4TMS,isomer #27CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124519.0Semi standard non polar33892256
Lymecycline,4TMS,isomer #28CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124451.5Semi standard non polar33892256
Lymecycline,4TMS,isomer #29CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124492.2Semi standard non polar33892256
Lymecycline,4TMS,isomer #3CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124449.4Semi standard non polar33892256
Lymecycline,4TMS,isomer #30CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124373.9Semi standard non polar33892256
Lymecycline,4TMS,isomer #31CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124483.1Semi standard non polar33892256
Lymecycline,4TMS,isomer #32CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124542.9Semi standard non polar33892256
Lymecycline,4TMS,isomer #33CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124412.7Semi standard non polar33892256
Lymecycline,4TMS,isomer #34CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124528.9Semi standard non polar33892256
Lymecycline,4TMS,isomer #35CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124447.2Semi standard non polar33892256
Lymecycline,4TMS,isomer #36CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124577.5Semi standard non polar33892256
Lymecycline,4TMS,isomer #37CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124612.3Semi standard non polar33892256
Lymecycline,4TMS,isomer #38CN(C)[C@@H]1C(O)=C(C(=O)N(CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124452.8Semi standard non polar33892256
Lymecycline,4TMS,isomer #39CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124497.8Semi standard non polar33892256
Lymecycline,4TMS,isomer #4CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124493.2Semi standard non polar33892256
Lymecycline,4TMS,isomer #40CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124554.3Semi standard non polar33892256
Lymecycline,4TMS,isomer #41CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124424.2Semi standard non polar33892256
Lymecycline,4TMS,isomer #42CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124527.0Semi standard non polar33892256
Lymecycline,4TMS,isomer #43CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124590.6Semi standard non polar33892256
Lymecycline,4TMS,isomer #44CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124470.0Semi standard non polar33892256
Lymecycline,4TMS,isomer #45CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124568.9Semi standard non polar33892256
Lymecycline,4TMS,isomer #46CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124516.2Semi standard non polar33892256
Lymecycline,4TMS,isomer #47CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124626.8Semi standard non polar33892256
Lymecycline,4TMS,isomer #48CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124657.5Semi standard non polar33892256
Lymecycline,4TMS,isomer #49CN(C)[C@@H]1C(O)=C(C(=O)N(CN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124510.5Semi standard non polar33892256
Lymecycline,4TMS,isomer #5CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124371.9Semi standard non polar33892256
Lymecycline,4TMS,isomer #50CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124544.5Semi standard non polar33892256
Lymecycline,4TMS,isomer #51CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124417.2Semi standard non polar33892256
Lymecycline,4TMS,isomer #52CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124528.3Semi standard non polar33892256
Lymecycline,4TMS,isomer #53CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124457.7Semi standard non polar33892256
Lymecycline,4TMS,isomer #54CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124575.3Semi standard non polar33892256
Lymecycline,4TMS,isomer #55CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124600.6Semi standard non polar33892256
Lymecycline,4TMS,isomer #56CN(C)[C@@H]1C(O)=C(C(=O)N(CN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124454.1Semi standard non polar33892256
Lymecycline,4TMS,isomer #57CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124512.7Semi standard non polar33892256
Lymecycline,4TMS,isomer #58CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124640.5Semi standard non polar33892256
Lymecycline,4TMS,isomer #59CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124669.5Semi standard non polar33892256
Lymecycline,4TMS,isomer #6CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124483.7Semi standard non polar33892256
Lymecycline,4TMS,isomer #60CN(C)[C@@H]1C(O)=C(C(=O)N(CN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124509.9Semi standard non polar33892256
Lymecycline,4TMS,isomer #61CN(C)[C@@H]1C(O)=C(C(=O)N(CN(CCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124542.6Semi standard non polar33892256
Lymecycline,4TMS,isomer #62CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124597.7Semi standard non polar33892256
Lymecycline,4TMS,isomer #63CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124693.4Semi standard non polar33892256
Lymecycline,4TMS,isomer #64CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124398.4Semi standard non polar33892256
Lymecycline,4TMS,isomer #65CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124350.2Semi standard non polar33892256
Lymecycline,4TMS,isomer #66CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124440.6Semi standard non polar33892256
Lymecycline,4TMS,isomer #67CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124338.7Semi standard non polar33892256
Lymecycline,4TMS,isomer #68CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124441.3Semi standard non polar33892256
Lymecycline,4TMS,isomer #69CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124394.9Semi standard non polar33892256
Lymecycline,4TMS,isomer #7CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124445.6Semi standard non polar33892256
Lymecycline,4TMS,isomer #70CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124495.2Semi standard non polar33892256
Lymecycline,4TMS,isomer #71CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124377.0Semi standard non polar33892256
Lymecycline,4TMS,isomer #72CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124479.9Semi standard non polar33892256
Lymecycline,4TMS,isomer #73CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124437.5Semi standard non polar33892256
Lymecycline,4TMS,isomer #74CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124323.0Semi standard non polar33892256
Lymecycline,4TMS,isomer #75CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124420.9Semi standard non polar33892256
Lymecycline,4TMS,isomer #76CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N(CNCCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124421.4Semi standard non polar33892256
Lymecycline,4TMS,isomer #77CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCN(CCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124533.8Semi standard non polar33892256
Lymecycline,4TMS,isomer #78CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124566.5Semi standard non polar33892256
Lymecycline,4TMS,isomer #79CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)N(CN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124427.6Semi standard non polar33892256
Lymecycline,4TMS,isomer #8CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124487.6Semi standard non polar33892256
Lymecycline,4TMS,isomer #80CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124393.3Semi standard non polar33892256
Lymecycline,4TMS,isomer #81CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124481.9Semi standard non polar33892256
Lymecycline,4TMS,isomer #82CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124384.1Semi standard non polar33892256
Lymecycline,4TMS,isomer #83CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124471.2Semi standard non polar33892256
Lymecycline,4TMS,isomer #84CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124426.7Semi standard non polar33892256
Lymecycline,4TMS,isomer #85CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124324.0Semi standard non polar33892256
Lymecycline,4TMS,isomer #86CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124426.6Semi standard non polar33892256
Lymecycline,4TMS,isomer #87CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124407.6Semi standard non polar33892256
Lymecycline,4TMS,isomer #88CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124535.8Semi standard non polar33892256
Lymecycline,4TMS,isomer #89CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124575.5Semi standard non polar33892256
Lymecycline,4TMS,isomer #9CN(C)[C@@H]1C(O[Si](C)(C)C)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124548.6Semi standard non polar33892256
Lymecycline,4TMS,isomer #90CN(C)[C@@H]1C(O)=C(C(=O)N(CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124416.8Semi standard non polar33892256
Lymecycline,4TMS,isomer #91CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124488.0Semi standard non polar33892256
Lymecycline,4TMS,isomer #92CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124380.9Semi standard non polar33892256
Lymecycline,4TMS,isomer #93CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124469.8Semi standard non polar33892256
Lymecycline,4TMS,isomer #94CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124484.3Semi standard non polar33892256
Lymecycline,4TMS,isomer #95CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124583.0Semi standard non polar33892256
Lymecycline,4TMS,isomer #96CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124621.8Semi standard non polar33892256
Lymecycline,4TMS,isomer #97CN(C)[C@@H]1C(O)=C(C(=O)N(CN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124478.5Semi standard non polar33892256
Lymecycline,4TMS,isomer #98CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124408.4Semi standard non polar33892256
Lymecycline,4TMS,isomer #99CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C)[C@H]3C[C@@H]124514.0Semi standard non polar33892256
Lymecycline,1TBDMS,isomer #1CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124925.5Semi standard non polar33892256
Lymecycline,1TBDMS,isomer #2CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]124925.0Semi standard non polar33892256
Lymecycline,1TBDMS,isomer #3CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124858.8Semi standard non polar33892256
Lymecycline,1TBDMS,isomer #4CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124933.5Semi standard non polar33892256
Lymecycline,1TBDMS,isomer #5CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124896.1Semi standard non polar33892256
Lymecycline,1TBDMS,isomer #6CN(C)[C@@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124921.2Semi standard non polar33892256
Lymecycline,1TBDMS,isomer #7CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124966.4Semi standard non polar33892256
Lymecycline,1TBDMS,isomer #8CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124865.6Semi standard non polar33892256
Lymecycline,1TBDMS,isomer #9CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124945.1Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #1CN(C)[C@@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]125041.6Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #10CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]125000.6Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #11CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]125039.2Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #12CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]124978.2Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #13CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]125078.2Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #14CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]124975.4Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #15CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]125080.8Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #16CN(C)[C@@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124945.2Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #17CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124936.9Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #18CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124985.8Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #19CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]125001.3Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #2CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]125012.4Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #20CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124888.5Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #21CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124995.4Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #22CN(C)[C@@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]125029.7Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #23CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124988.9Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #24CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]125066.2Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #25CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124987.2Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #26CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]125071.0Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #27CN(C)[C@@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124975.6Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #28CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]125034.2Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #29CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124909.9Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #3CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]125054.2Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #30CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]125033.1Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #31CN(C)[C@@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]125044.4Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #32CN(C)[C@@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124935.5Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #33CN(C)[C@@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]125052.1Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #34CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124997.8Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #35CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]125103.2Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #36CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]125158.1Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #37CN(C)[C@@H]1C(O)=C(C(=O)N(CN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]125015.4Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #4CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]125015.9Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #5CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]125088.2Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #6CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]125096.2Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #7CN(C)[C@@H]1C(O)=C(C(=O)N(CNCCCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]124981.8Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #8CN(C)[C@@H]1C(O)=C(C(=O)NCN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C4[C@@](C)(O)[C@H]3C[C@@H]125098.6Semi standard non polar33892256
Lymecycline,2TBDMS,isomer #9CN(C)[C@@H]1C(O[Si](C)(C)C(C)(C)C)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC=C4[C@@](C)(O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]125028.0Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Lymecycline GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a5i-3019250000-12eac72ab7dedd803b342017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lymecycline GC-MS (1 TMS) - 70eV, Positivesplash10-0a4i-5005649000-3f203b4cc7bb2470c6492017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lymecycline GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lymecycline GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lymecycline GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lymecycline GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lymecycline GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lymecycline GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lymecycline GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lymecycline GC-MS (TMS_1_9) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lymecycline GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lymecycline GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lymecycline GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lymecycline GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lymecycline GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lymecycline GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lymecycline GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lymecycline GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lymecycline GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lymecycline GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lymecycline GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lymecycline GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lymecycline GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lymecycline GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lymecycline GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lymecycline 10V, Positive-QTOFsplash10-000i-0200091000-89e41c2e3834190df2012016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lymecycline 20V, Positive-QTOFsplash10-001r-6700590000-4e361cb29ebc1a76bb632016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lymecycline 40V, Positive-QTOFsplash10-001i-9828330000-d0ae1ca5167e192c6d342016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lymecycline 10V, Negative-QTOFsplash10-0udi-0322669000-c5830c776faedf57e4382016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lymecycline 20V, Negative-QTOFsplash10-0f89-1735931000-4014754799d6e18776552016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lymecycline 40V, Negative-QTOFsplash10-0ntd-5549300000-866a3d185c36d9e549e22016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lymecycline 10V, Negative-QTOFsplash10-0f89-1410098000-d903d835ba62ec246e532021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lymecycline 20V, Negative-QTOFsplash10-0006-8439164000-3f302bf25f25bb5e551a2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lymecycline 40V, Negative-QTOFsplash10-0006-9101230000-d4f12ffa94a44190d8e82021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lymecycline 10V, Positive-QTOFsplash10-000i-0100291000-3fa58d959484de3466ac2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lymecycline 20V, Positive-QTOFsplash10-015i-2100791000-ba5e16a41c66bdd2f8ae2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lymecycline 40V, Positive-QTOFsplash10-001i-9310100000-419827f97c772d16a6942021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00256 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00256 details
Abnormal Concentrations
Not Available
Predicted Concentrations
BiospecimenValueOriginal ageOriginal sexOriginal conditionComments
Blood0.000 uMAdult (>18 years old)BothNormalPredicted based on drug qualities
Blood0.000 umol/mmol creatinineAdult (>18 years old)BothNormalPredicted based on drug qualities
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB00256
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID20121315
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkLymecycline
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID59040
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Meynadier J, Alirezai M: Systemic antibiotics for acne. Dermatology. 1998;196(1):135-9. [PubMed:9557248 ]
  2. MEDSAFE [Link]