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Clarithromycin

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU105304

Dataset description:

This MassBank record with Accession MSBNK-Athens_Univ-AU105304 contains the MS2 mass spectrum of Clarithromycin with the InChIkey AGOYDEPGAOXOCK-KCBOHYOISA-N.

Source: Clarithromycin

Chemical Info

molecular Image

InChI	InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
SMILES	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC
InChI Key	AGOYDEPGAOXOCK-KCBOHYOISA-N
Molecular Formula	C38H69NO13
Exact Mass	747.477 g/mol

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Additional Information

Field	Value
Data last updated	January 11, 2024
Metadata last updated	January 11, 2024
Created	January 11, 2024
Format	HTML
License	Attribution-ShareAlike 4.0 International (CC BY-SA 4.0)
Id	b044d951-1d14-4a0f-b8ce-84e541b8399c
Package id	msbnk-athens_univ-au105304
Resource type	HTML
State	active