Spectrum KO001493 for Minocycline

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1
DYKFCLLONBREIL-KVUCHLLUSA-N
C23H27N3O7
457.18490020400003
O=C1C=2C(O)=CC=C(C2CC3C1=C(O)C4(O)C(=O)C(C(=N)O)=C(O)C(N(C)C)C4C3)N(C)C

Mass Spectral Metadata

NameValue
KO001493
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID M159
457.1849
API3000, Applied Biosystems
LC-ESI-QQ
MS2
20 V
negative
2.164541614595253
0.6428130238274752
456
[M-H]-
389.5267631579819 ppm
-0.17762420400003975 Da