Np mrd loader

Record Information
Version1.0
Created at2023-02-08 00:01:05 UTC
Updated at2024-05-13 01:13:37 UTC
NP-MRD IDNP0331493
Secondary Accession NumbersNone
Natural Product Identification
Common NameUnguisin H
DescriptionNot Available
Structure
Thumb
SynonymsNot Available
Chemical FormulaC42H58N8O7
Average Mass786.9750 Da
Monoisotopic Mass786.44285 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
[H][C@@]1(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](C)NC(=O)CCCNC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@@H](C)NC1=O)C(C)C)[C@H](C)C1=CC=CC=C1
InChI Identifier
InChI=1S/C42H58N8O7/c1-23(2)20-32-40(55)50-36(25(5)28-14-9-8-10-15-28)42(57)46-27(7)37(52)47-33(21-29-22-44-31-17-12-11-16-30(29)31)39(54)43-19-13-18-34(51)45-26(6)38(53)49-35(24(3)4)41(56)48-32/h8-12,14-17,22-27,32-33,35-36,44H,13,18-21H2,1-7H3,(H,43,54)(H,45,51)(H,46,57)(H,47,52)(H,48,56)(H,49,53)(H,50,55)/t25-,26-,27-,32+,33-,35-,36-/m1/s1
InChI KeyPSSQCOUXOYAUJC-FDJJFXKUSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
HMBC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)ymatsuda@cityu.edu.hkNot AvailableNot Available2024-05-11View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)ymatsuda@cityu.edu.hkNot AvailableNot Available2024-05-11View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)ymatsuda@cityu.edu.hkNot AvailableNot Available2024-05-11View Spectrum
ROESY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)ymatsuda@cityu.edu.hkNot AvailableNot Available2024-05-11View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)ymatsuda@cityu.edu.hkNot AvailableNot Available2024-05-11View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)ymatsuda@cityu.edu.hkNot AvailableNot Available2024-05-11View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
campestris CBS 348.81
      Not Available
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
External LinksNot Available
References
General References
  1. Wei X, Chan TK, Kong CTD, Matsuda Y: Biosynthetic Characterization, Heterologous Production, and Genomics-Guided Discovery of GABA-Containing Fungal Heptapeptides. J Nat Prod. 2023 Feb 24;86(2):416-422. doi: 10.1021/acs.jnatprod.2c01065. Epub 2023 Jan 30. [PubMed:36715406 ]