Barnesin A (6BMR098).tocsy

Barnesin A (6BMR098)

InChI	InChI=1S/C25H37N5O5/c1-2-3-4-5-6-9-22(32)30-21(17-18-10-13-20(31)14-11-18)24(35)29-19(12-15-23(33)34)8-7-16-28-25(26)27/h6,9-15,19,21,31H,2-5,7-8,16-17H2,1H3,(H,29,35)(H,30,32)(H,33,34)(H4,26,27,28)
SMILES	CCCCCC=CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C=CC(=O)O)CCCN=C(N)N
InChI Key	ANGGSYAIWRWBFA-UHFFFAOYSA-N
Molecular Formula	C25H37N5O5
Exact Mass	487.600 g/mol

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