ergometrinine (Q15633935): Difference between revisions

@@ description / nds / description / nds @@
+cheemsch Verbinnen
@@ Property / instance of @@
-chemical compound
@@ Property / instance of: chemical compound / rank @@
-Normal rank
@@ Property / instance of @@
-ergoline alkaloid
@@ Property / instance of: ergoline alkaloid / rank @@
-Normal rank
@@ Property / instance of: ergoline alkaloid / reference @@
-inferred from: ergoline alkaloid
@@ Property / PubChem CID: 5486180 / reference @@
+matched by identifier from: InChIKey
InChIKey: WVVSZNPYNCNODU-PLQHRBFRSA-N
@@ Property / UNII: 5EXN22NGMW / reference @@
+stated in: Global Substance Registration System
UNII: 5EXN22NGMW
language of work or name: English
title: ergometrinine (English)
retrieved: 14 October 2016Timestamp +2016-10-14T00:00:00Z
Timezone +00:00
Calendar Gregorian
Precision 1 day
Before 0
After 0
-Timestamp
++2016-10-14T00:00:00Z
-Timezone
++00:00
-Calendar
+Gregorian
-Precision
+day
 Before
 After
@@ Property / UNII: 5EXN22NGMW / reference @@
+matched by identifier from: InChIKey
InChIKey: WVVSZNPYNCNODU-PLQHRBFRSA-N
@@ Property / UNII: 5EXN22NGMW / reference @@
-stated in: Unique Ingredient Identifier
UNII: 5EXN22NGMW
language of work or name: English
title: ergometrinine (English)
retrieved: 14 October 2016Timestamp +2016-10-14T00:00:00Z
Timezone +00:00
Calendar Gregorian
Precision 1 day
Before 0
After 0
-Timestamp
++2016-10-14T00:00:00Z
-Timezone
++00:00
-Calendar
+Gregorian
-Precision
+day
 Before
 After
@@ Property / CAS Registry Number: 479-00-5 / reference @@
+stated in: Global Substance Registration System
UNII: 5EXN22NGMW
language of work or name: English
title: ergometrinine (English)
retrieved: 14 October 2016Timestamp +2016-10-14T00:00:00Z
Timezone +00:00
Calendar Gregorian
Precision 1 day
Before 0
After 0
-Timestamp
++2016-10-14T00:00:00Z
-Timezone
++00:00
-Calendar
+Gregorian
-Precision
+day
 Before
 After
@@ Property / CAS Registry Number: 479-00-5 / reference @@
-stated in: Unique Ingredient Identifier
UNII: 5EXN22NGMW
language of work or name: English
title: ergometrinine (English)
retrieved: 14 October 2016Timestamp +2016-10-14T00:00:00Z
Timezone +00:00
Calendar Gregorian
Precision 1 day
Before 0
After 0
-Timestamp
++2016-10-14T00:00:00Z
-Timezone
++00:00
-Calendar
+Gregorian
-Precision
+day
 Before
 After
@@ Property / MassBank accession ID @@
-AC000321
@@ Property / MassBank accession ID: AC000321 / rank @@
-Normal rank
@@ Property / MassBank accession ID @@
-AC000322
@@ Property / MassBank accession ID: AC000322 / rank @@
-Normal rank
@@ Property / found in taxon @@
-Ipomoea capillacea
@@ Property / found in taxon: Ipomoea capillacea / rank @@
-Normal rank
@@ Property / found in taxon: Ipomoea capillacea / reference @@
-stated in: Psychotomimetic Ergot Alkaloid Contents of Seed from Calonyction muricatum, Jacquemontia tamnifolia, Quamoclit lobata, and Q. sloteri
@@ Property / instance of @@
+type of chemical entity
@@ Property / instance of: type of chemical entity / rank @@
+Normal rank
@@ Property / MassBank accession ID @@
+MSBNK-AAFC-AC000320
@@ Property / MassBank accession ID: MSBNK-AAFC-AC000320 / rank @@
+Normal rank
@@ Property / MassBank accession ID @@
+MSBNK-AAFC-AC000321
@@ Property / MassBank accession ID: MSBNK-AAFC-AC000321 / rank @@
+Normal rank
@@ Property / MassBank accession ID @@
+MSBNK-AAFC-AC000322
@@ Property / MassBank accession ID: MSBNK-AAFC-AC000322 / rank @@
+Normal rank
@@ Property / found in taxon @@
+Ipomoea capillacea
@@ Property / found in taxon: Ipomoea capillacea / rank @@
+Normal rank
@@ Property / found in taxon: Ipomoea capillacea / reference @@
+stated in: Psychotomimetic Ergot Alkaloid Contents of Seed from Calonyction muricatum, Jacquemontia tamnifolia, Quamoclit lobata, and Q. sloteri
@@ Property / UniChem compound ID @@
@@ Property / UniChem compound ID: 837162 / rank @@
+Normal rank
@@ Property / UniChem compound ID: 837162 / reference @@
+stated in: UniChem
@@ Property / stereoisomer of @@
+(6aR,9R)-N-[(2R)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
+Normal rank
+based on heuristic: inferred from InChIKey
+based on heuristic: inferred from InChI
@@ Property / stereoisomer of @@
+ergometrine
@@ Property / stereoisomer of: ergometrine / rank @@
+Normal rank
@@ Property / stereoisomer of: ergometrine / reference @@
+based on heuristic: inferred from InChIKey
@@ Property / stereoisomer of: ergometrine / reference @@
+based on heuristic: inferred from InChI
@@ Property / stereoisomer of @@
+(6aR,9S)-N-[(2R)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
+Normal rank
+based on heuristic: inferred from InChI
@@ Property / subclass of @@
+(4S,7R)-N-(1-hydroxypropan-2-yl)-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid
+Normal rank
+based on heuristic: inferred from SMILES
@@ Property / Natural Product Atlas ID @@
+NPA011882
@@ Property / Natural Product Atlas ID: NPA011882 / rank @@
+Normal rank
@@ Property / Natural Product Atlas ID: NPA011882 / reference @@
+based on heuristic: inferred from InChIKey
@@ Property / Natural Product Atlas ID: NPA011882 / reference @@
+matched by identifier from: InChIKey
InChIKey: WVVSZNPYNCNODU-PLQHRBFRSA-N
@@ Property / SureChEMBL ID @@
+SCHEMBL918411
@@ Property / SureChEMBL ID: SCHEMBL918411 / rank @@
+Normal rank
@@ Property / SureChEMBL ID: SCHEMBL918411 / reference @@
+based on heuristic: inferred from InChIKey
@@ Property / SureChEMBL ID: SCHEMBL918411 / reference @@
+matched by identifier from: InChIKey
InChIKey: WVVSZNPYNCNODU-PLQHRBFRSA-N
@@ Property / ChEBI ID @@
@@ Property / ChEBI ID: 221611 / rank @@
+Normal rank
@@ Property / ChEBI ID: 221611 / qualifier @@
+mapping relation type: exact match
@@ Property / ChEBI ID: 221611 / reference @@
+matched by identifier from: International Chemical Identifier
InChI: InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13-,17+/m0/s1