(Q27132297)

SCHEMBL3088475 (English)

7 October 2016

chemical formula

C₂₁H₂₉NO₅

1 reference

SCHEMBL3088475 (English)

7 October 2016

canonical SMILES

CC12CCC3C(C1CCC2=O)C(=NOCC(=O)O)C=C4C3(CCC(C4)O)C

1 reference

SCHEMBL3088475 (English)

7 October 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=NOCC(=O)O)C=C4[C@@]3(CC[C@@H](C4)O)C

1 reference

SCHEMBL3088475 (English)

InChI=1S/C21H29NO5/c1-20-7-5-13(23)9-12(20)10-16(22-27-11-18(25)26)19-14-3-4-17(24)21(14,2)8-6-15(19)20/h10,13-15,19,23H,3-9,11H2,1-2H3,(H,25,26)/t13-,14-,15-,19-,20-,21-/m0/s1

7 October 2016

Identifiers

InChI

1 reference

SCHEMBL3088475 (English)

ZVQQBKJJJZODIH-XDLUYZMFSA-N

7 October 2016

InChIKey

2 references

SCHEMBL3088475 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

({(E)-[(3beta,7E)-3-Hydroxy-17-oxoandrost-5-en-7-ylidene]amino}oxy)acetic acid (English)

7 October 2016

2 references

SCHEMBL3088475 (English)

matched by identifier from

7 October 2016

InChIKey

ZVQQBKJJJZODIH-XDLUYZMFSA-N

Reaxys registry number

2402395

1 reference

dehydroepiandrosterone 7-O-(carboxymethyl)oxime (English)

7 October 2016

ChEBI ID

62935

mapping relation type

2 references

dehydroepiandrosterone 7-O-(carboxymethyl)oxime (English)