Dataset

KANCHANOMYCIN; FD-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000141 contains the MS mass spectrum of KANCHANOMYCIN with the InChIkey PUQUSQASXBNKCW-BFHYXJOUSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C27H24N2O9/c1-9-5-10-6-11-7-14-18-19(15(11)21(31)16(10)27(34)29(9)28)23(33)20-22(32)17-12(30)3-4-13(35-2)24(17)38-26(20)25(18)37-8-36-14/h5-6,12-14,30-31,33H,3-4,7-8,28H2,1-2H3/t12-,13+,14+/m0/s1
SMILES	c(c16)(cc(C=7[H])c(C(N(C7C)N)=O)c(O)6)CC([H])(O5)c(c4OC5)c(c(O)c(c43)C(=O)C(C2([H])O)=C(O3)C(OC)(CC2)[H])1
InChI Key	PUQUSQASXBNKCW-BFHYXJOUSA-N
Molecular Formula	C27H24N2O9
Exact Mass	520.148 g/mol

Data and Resources

KANCHANOMYCINHTML

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Related Molecule ⌄

(13R,21R,24S)-6-amino-3,24,28-trihydroxy-21-methoxy-7-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(29),2(11),3,7,9,17,20(25),27-octaene-5,26-dione

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP000141
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	(13R,21R,24S)-6-amino-3,24,28-trihydroxy-21-methoxy-7-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(29),2(11),3,7,9,17,20(25),27-octaene-5,26-dione

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
25065152	surechembl
29518481	surechembl
5480828	pubchem
PD064035	probes_and_drugs
WAHLEA	CCDC
Molport-046-426-263	molport
The data in this table is sourced from UniChem at EBI.