(Q20742851)

2,3-Estrone o-quinone (English)

9 October 2016

chemical formula

C₁₈H₂₀O₃

1 reference

2,3-Estrone o-quinone (English)

9 October 2016

canonical SMILES

CC12CCC3C(C1CCC2=O)CCC4=CC(=O)C(=O)C=C34

1 reference

2,3-Estrone o-quinone (English)

9 October 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C(=O)C=C34

1 reference

2,3-Estrone o-quinone (English)

InChI=1S/C18H20O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1

9 October 2016

subject has role

metabolite

0 references

Identifiers

InChI

1 reference

2,3-Estrone o-quinone (English)

9 October 2016

2 references

2,3-Estrone o-quinone (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

estra-1(10),4-diene-2,3,17-trione (English)

9 October 2016

https://commonchemistry.cas.org/detail?cas_rn=40551-33-5

9 April 2021

1 reference

Estra-1(10),4-diene-2,3,17-trione (English)

9 October 2016

2 references

2,3-Estrone o-quinone (English)

matched by identifier from

9 October 2016

Reaxys registry number

7538862

1 reference

estra-1(10),4-diene-2,3,17-trione (English)

9 October 2016

ChEBI ID

87262

mapping relation type

2 references

estra-1(10),4-diene-2,3,17-trione (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C18H20O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1

1 reference

1 reference

matched by identifier from