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diazepinomicin

Properties

Image

Occurences in reactions

MNX_ID

MNXM149027

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₈H₃₄N₂O₄

charge

mass

462.25186

reference

chebi:156321

InChIKey

SALVHVNECODMJP-GNUCVDFRSA-N

InChI

InChI=1S/C28H34N2O4/c1-18(2)8-5-9-19(3)10-6-11-20(4)14-15-30-23-16-21(31)17-25(33)27(23)29-26-22(28(30)34)12-7-13-24(26)32/h7-8,10,12-14,16-17,29,31-33H,5-6,9,11,15H2,1-4H3/b19-10+,20-14+

SMILES

CC(C)=CCC/C(C)=C/CC/C(C)=C/CN1C(=O)c2cccc(O)c2Nc2c(O)cc(O)cc21

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:156321 chebi:156321	diazepinomicin 1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-11H-benzo[b][1,4]benzodiazepin-6-one
seed.compound:cpd33676 seedM:cpd33676	11H-dibenzo(b,E)(1,4)diazepin-11-one, 5,10-dihydro-4,6,8-trihydroxy-10-((2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl)- BU-4664L ECO-4601 TLN-4601 diazepinomicin
metacyc.compound:CPD-16632 metacycM:CPD-16632	diazepinomicin 11H-dibenzo(b,E)(1,4)diazepin-11-one, 5,10-dihydro-4,6,8-trihydroxy-10-((2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl)- BU-4664L ECO-4601 TLN-4601
seedM:M_cpd33676	secondary/obsolete/fantasy identifier