7-demethylmitomycin B (Q27158563)

[(1aS,8R,8aR,8bS)-6,8a-Dihydroxy-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-yl]methyl carbamate (English)

retrieved

9 October 2016

chemical formula

C₁₅H₁₇N₃O₆

0 references

canonical SMILES

CC=1C(C2=C(C(COC(=N)O)(C3(C4(C(CN23)(N4C)[H])[H])O)[H])C(C1O)=O)=O

1 reference

language of work or name

English

title

7-demethylmitomycin B (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)[H])C(C1O)=O)=O

1 reference

language of work or name

English

title

7-demethylmitomycin B (English)

retrieved

9 October 2016

Identifiers

InChI

InChI=1S/C15H17N3O6/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/h6-7,13,20,23H,3-4H2,1-2H3,(H2,16,22)/t6-,7-,13-,15+,17?/m0/s1

1 reference

language of work or name

English

title

7-demethylmitomycin B (English)

retrieved

9 October 2016

InChIKey

SSPKMGDJOCSPSC-YBQQBMQWSA-N

2 references

language of work or name

English

title

7-demethylmitomycin B (English)

retrieved

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

language of work or name

English

title

[(1aS,8R,8aR,8bS)-6,8a-Dihydroxy-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-yl]methyl carbamate (English)

retrieved

9 October 2016

Reaxys registry number

5636659

1 reference

language of work or name

English

title