7-demethylmitomycin B(2-) (Q27158215)

(1aS,8aR,8bS)-8-[(Carbamoyloxy)methyl]-8a-hydroxy-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-id-6-olate (English)

retrieved

9 October 2016

chemical formula

C₁₅H₁₅N₃O₆

0 references

canonical SMILES

CC=1C(C2=C([C-](COC(=N)O)C3(C4(C(CN23)(N4C)[H])[H])O)C(C1[O-])=O)=O

1 reference

language of work or name

English

title

7-demethylmitomycin B(2-) (English)

retrieved

9 October 2016

isomeric SMILES

CC=1C(C2=C([C-](COC(=N)O)[C@]3([C@@]4([C@](CN23)(N4C)[H])[H])O)C(C1[O-])=O)=O

1 reference

language of work or name

English

title

7-demethylmitomycin B(2-) (English)

retrieved

9 October 2016

Identifiers

InChI

InChI=1S/C15H16N3O6/c1-5-10(19)9-8(12(21)11(5)20)6(4-24-14(16)22)15(23)13-7(17(13)2)3-18(9)15/h7,13,20,23H,3-4H2,1-2H3,(H2,16,22)/q-1/p-1/t7-,13-,15+,17?/m0/s1

1 reference

language of work or name

English

title

7-demethylmitomycin B(2-) (English)

retrieved

9 October 2016

InChIKey

LQVPZGHBDFKRML-LGRCCZASSA-M

2 references

language of work or name

English

title

7-demethylmitomycin B(2-) (English)

retrieved

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

language of work or name

English

title

(1aS,8aR,8bS)-8-[(Carbamoyloxy)methyl]-8a-hydroxy-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-id-6-olate (English)

9 October 2016

0 references

mapping relation type

exact match

2 references

stated in

ChEBI