format-version: 1.2
date: 20:11:2012 15:46
saved-by: cbobach
auto-generated-by: SODIAC
synonymtypedef: SYNONYM
remark: Author: OntoChem GmbH, www.ontochem.com
remark: Structure based ontology in OBO-Format. An is_a relationship defines a substructure relationship.
idspace: oc http://ontochem.com/uri/obo/

[Typedef]
id: oc_smarts
name: oc_smarts
namespace: 
domain: 
range: 
struct_format: smarts

[Term]
id: 150000000583
name: 5α-androstanes
oc_smarts: [#6][C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CCCC[C@]3([#6])[C@H]1CC2
synonym: "5α-androstane" EXACT SYNONYM [OC {date=2011-09-14, lang=eng}]
synonym: "5α-androstanes" EXACT SYNONYM [OC {date=2012-03-04, lang=eng, prefname=1}]
is_a: 150000001441 ! androstanes

[Term]
id: 150000000605
name: 5α-pregnanes
oc_smarts: [#6]C[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4([#6])[C@H]3CC[C@]12[#6]
synonym: "5α-pregnane" EXACT SYNONYM [OC {date=2011-09-14, lang=eng}]
synonym: "5α-pregnanes" EXACT SYNONYM [OC {date=2012-03-04, lang=eng, prefname=1}]
is_a: 150000003128 ! pregnanes

[Term]
id: 150000000614
name: 5β-androstanes
oc_smarts: [#6][C@@]12CCC[C@H]1[C@@H]1CC[C@@H]3CCCC[C@]3([#6])[C@H]1CC2
synonym: "5β-androstane" EXACT SYNONYM [OC {date=2011-09-14, lang=eng}]
synonym: "5β-androstanes" EXACT SYNONYM [OC {date=2012-03-04, lang=eng, prefname=1}]
is_a: 150000001441 ! androstanes

[Term]
id: 150000000631
name: 5β-pregnanes
oc_smarts: [#6]C[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4([#6])[C@H]3CC[C@]12[#6]
synonym: "5β-pregnane" EXACT SYNONYM [OC {date=2011-09-14, lang=eng}]
synonym: "5β-pregnanes" EXACT SYNONYM [OC {date=2012-03-04, lang=eng, prefname=1}]
is_a: 150000003128 ! pregnanes

[Term]
id: 150000001440
name: androstane derivatives
synonym: "androstane derivative" EXACT SYNONYM []
synonym: "androstane derivatives" EXACT SYNONYM []
is_a: 150000003431 ! steroids

[Term]
id: 150000001441
name: androstanes
oc_smarts: [#6][C@@]12CCC[C@H]1[C@@H]1CCC3CCCC[C@]3([#6])[C@H]1CC2XXX[\!#6;*,#1]C([\!#6;*,#1])([\!#6;*,#1])[C;R2]12[C;R1][C;R1][C;R2]3[C;R2]([C;R1][C;R1][C;R2]4[C;R1][C;R1][C;R1][C;R1][C;R2]34C([\!#6;*,#1])([\!#6;*,#1])[\!#6;*,#1])[C;R2]1[C;R1][C;R1][C;R1]2([\!#6;*,#1])[\!#6;*,#1]
oc_smarts: [#6][C@]12CC[C@H]3[C@@H](CCC4CCCC[C@]34[#6])[C@@H]1CCC2(O)C(O)=OXXXOC(=O)[C;R1]1(O)[C;R1][C;R1][C;R2]2[C;R2]3[C;R1][C;R1][C;R2]4[C;R1][C;R1][C;R1][C;R1][C;R2]4([C;R2]3[C;R1][C;R1][C;R2]12C([\!#6;*,#1])([\!#6;*,#1])[\!#6;*,#1])C([\!#6;*,#1])([\!#6;*,#1])[\!#6;*,#1]
oc_smarts: [#6][C@]12CC[C@H]3[C@@H](CCC4CCCC[C@]34[#6])[C@@H]1CCC2=OXXX[\!#6;*,#1]C([\!#6;*,#1])([\!#6;*,#1])[C;R2]12[C;R1][C;R1][C;R2]3[C;R2]([C;R1][C;R1][C;R2]4[C;R1][C;R1][C;R1][C;R1][C;R2]34C([\!#6;*,#1])([\!#6;*,#1])[\!#6;*,#1])[C;R2]1[C;R1][C;R1][C;R1]2=O
oc_smarts: [#6]C1(O)CC[C@H]2[C@@H]3CCC4CCCC[C@]4([#6])[C@H]3CC[C@]12[#6]XXXO[C;R1]1([C;R1][C;R1][C;R2]2[C;R2]3[C;R1][C;R1][C;R2]4[C;R1][C;R1][C;R1][C;R1][C;R2]4([C;R2]3[C;R1][C;R1][C;R2]12C([\!#6;*,#1])([\!#6;*,#1])[\!#6;*,#1])C([\!#6;*,#1])([\!#6;*,#1])[\!#6;*,#1])C([\!#6;*,#1])([\!#6;*,#1])[\!#6;*,#1]
synonym: "androstane" EXACT SYNONYM [OC {date=2012-03-30, lang=eng}]
synonym: "androstanes" EXACT SYNONYM [OC {date=2012-03-30, lang=eng}]
is_a: 150000001440 ! androstane derivatives

[Term]
id: 150000001799
name: chemistry

[Term]
id: 150000001875
name: compounds
oc_smarts: *~*
synonym: "compound" EXACT SYNONYM [OC {date=2012-03-30, lang=eng}]
synonym: "compounds" EXACT SYNONYM [OC {date=2012-03-04, lang=eng, prefname=1}]
is_a: 150000003439 ! structural classification

[Term]
id: 150000002632
name: lipids
synonym: "lipid" EXACT SYNONYM [OC {date=2012-03-30, lang=eng}]
synonym: "lipids" EXACT SYNONYM [OC {date=2012-03-04, lang=eng, prefname=1}]
is_a: 150000002893 ! organic compound scaffolds

[Term]
id: 150000002893
name: organic compound scaffolds
synonym: "organic compound scaffold" EXACT SYNONYM [OC {date=2012-03-30, lang=eng}]
synonym: "organic compound scaffolds" EXACT SYNONYM [OC {date=2012-03-30, lang=eng}]
is_a: 150000002894 ! organic compounds

[Term]
id: 150000002894
name: organic compounds
oc_smarts: \![C;X1]#[O]
oc_smarts: \!O=C=O
oc_smarts: [#6]
synonym: "organic compound" EXACT SYNONYM [OC {date=2012-03-30, lang=eng}]
synonym: "organic compounds" EXACT SYNONYM [OC {date=2012-03-04, lang=eng, prefname=1}]
synonym: "organo compound" EXACT SYNONYM [OC {date=2012-03-30, lang=eng}]
synonym: "organo compounds" EXACT SYNONYM [OC {date=2012-03-30, lang=eng}]
is_a: 150000001875 ! compounds

[Term]
id: 150000003126
name: pregnane derivatives
synonym: "pregnane derivative" EXACT SYNONYM [OC {date=2012-03-30, lang=eng}]
synonym: "pregnane derivatives" EXACT SYNONYM [OC {date=2012-03-30, lang=eng}]
is_a: 150000003431 ! steroids

[Term]
id: 150000003128
name: pregnanes
oc_smarts: [#6]C(=O)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4([#6])[C@H]3CC[C@]12[#6]XXX[\!#6;*,#1]C([\!#6;*,#1])([\!#6;*,#1])C(=O)[C@@;R1]1([\!#6;*,#1])[C;R1]C[C@]2([\!#6;*,#1])[C@@]1(CC[C@@]1([\!#6;*,#1])[C@@]2([\!#6;*,#1])CCC2[C;R1][C;R1][C;R1][C;R1][C@]12C([\!#6;*,#1])([\!#6;*,#1])[\!#6;*,#1])C([\!#6;*,#1])([\!#6;*,#1])[\!#6;*,#1]
oc_smarts: [#6]C[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4([#6])[C@H]3CC[C@]12[#6]XXX[\!#6;*,#1]C([\!#6;*,#1])([\!#6;*,#1])C([\!#6;*,#1])([\!#6;*,#1])[C@@;R1]1([\!#6;*,#1])[C;R1]C[C@]2([\!#6;*,#1])[C@@]1(CC[C@@]1([\!#6;*,#1])[C@@]2([\!#6;*,#1])CCC2[C;R1][C;R1][C;R1][C;R1][C@]12C([\!#6;*,#1])([\!#6;*,#1])[\!#6;*,#1])C([\!#6;*,#1])([\!#6;*,#1])[\!#6;*,#1]
oc_smarts: [H]C(=O)C[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4([#6])[C@H]3CC[C@]12[#6]XXX[H]C(=O)C([\!#6;*,#1])([\!#6;*,#1])[C@@;R1]1([\!#6;*,#1])[C;R1]C[C@]2([\!#6;*,#1])[C@@]1(CC[C@@]1([\!#6;*,#1])[C@@]2([\!#6;*,#1])CCC2[C;R1][C;R1][C;R1][C;R1][C@]12C([\!#6;*,#1])([\!#6;*,#1])[\!#6;*,#1])C([\!#6;*,#1])([\!#6;*,#1])[\!#6;*,#1]
synonym: "pregnane" EXACT SYNONYM [OC {date=2011-09-14, lang=eng}]
synonym: "pregnanes" EXACT SYNONYM [OC {date=2012-03-04, lang=eng, prefname=1}]
is_a: 150000003126 ! pregnane derivatives

[Term]
id: 150000003135
name: prenol lipids
synonym: "prenol lipid" EXACT SYNONYM [OC {date=2011-09-14, lang=eng}]
synonym: "prenol lipids" EXACT SYNONYM [OC {date=2012-03-04, lang=eng, prefname=1}]
is_a: 150000002632 ! lipids

[Term]
id: 150000003431
name: steroids
synonym: "steroid" EXACT SYNONYM [OC {date=2011-09-14, lang=eng}]
synonym: "steroids" EXACT SYNONYM [OC {date=2012-03-04, lang=eng, prefname=1}]
is_a: 150000003648 ! triterpenes

[Term]
id: 150000003439
name: structural classification
is_a: 150000001799 ! chemistry

[Term]
id: 150000003505
name: terpenes
synonym: "isoprenoid" EXACT SYNONYM [OC {date=2011-09-14, lang=eng}]
synonym: "isoprenoide" EXACT SYNONYM [OC {date=2011-09-14, lang=deu}]
synonym: "isoprenoids" EXACT SYNONYM [OC {date=2011-09-14, lang=eng}]
synonym: "terpene" EXACT SYNONYM [OC {date=2011-09-14, lang=deu}]
synonym: "terpenes" EXACT SYNONYM [OC {date=2012-03-04, lang=eng, prefname=1}]
synonym: "terpenoid" EXACT SYNONYM [OC {date=2011-09-14, lang=eng}]
synonym: "terpenoide" EXACT SYNONYM [OC {date=2011-09-14, lang=deu}]
synonym: "terpenoids" EXACT SYNONYM [OC {date=2011-09-14, lang=eng}]
is_a: 150000003135 ! prenol lipids

[Term]
id: 150000003648
name: triterpenes
synonym: "triterpene" EXACT SYNONYM [OC {date=2011-09-14, lang=eng}]
synonym: "triterpenes" EXACT SYNONYM [OC {date=2011-09-14, lang=eng}]
synonym: "triterpenoid" EXACT SYNONYM [OC {date=2011-09-14, lang=eng}]
synonym: "triterpenoids" EXACT SYNONYM [OC {date=2011-09-14, lang=eng}]
synonym: "triterpenos" EXACT SYNONYM [OC {date=2011-09-14, lang=spa}]
synonym: "Triterpens" EXACT SYNONYM [OC {date=2011-09-14, lang=eng}]
is_a: 150000003505 ! terpenes