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mitomycin B

Properties

Image

Occurences in reactions

MNX_ID

MNXM1107809

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

formula

C₁₆H₁₈N₃O₆

charge

-1

mass

348.12011

reference

chebi:84590

InChIKey

XZHLAASMHPDMBP-LREIXMIKSA-N

InChI

InChI=1S/C16H18N3O6/c1-6-11(20)10-9(12(21)13(6)24-3)7(5-25-15(17)22)16(23)14-8(18(14)2)4-19(10)16/h8,14,23H,4-5H2,1-3H3,(H2,17,22)/q-1/t8-,14-,16+,18?/m0/s1

SMILES

COC1=C(C)C(=O)C2=C(C1=O)[C-](COC(N)=O)[C@@]1(O)[C@@H]3[C@H](CN21)N3C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:84590 chebi:84590	mitomycin B (1aS,8aR,8bS)-8-[(carbamoyloxy)methyl]-8a-hydroxy-6-methoxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-ide mitomycin B(1-)