About: O-acetyl-15alpha-stemmadenine(1+)

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About: O-acetyl-15alpha-stemmadenine(1+) Goto Sponge NotDistinct Permalink

An Entity of Type : wikibase:Item, within Data Space : wikidata.demo.openlinksw.com associated with source document(s)

cation

Attributes	Values
rdf:type	Item
description	cation (en)
rdfs:label	O-acetyl-15alpha-stemmadenine(1+) (en)
skos:prefLabel	O-acetyl-15alpha-stemmadenine(1+) (en)
name	O-acetyl-15alpha-stemmadenine(1+) (en)
isomeric SMILES	wds:Q74417576-DFD86DE7-69D1-4AF4-B6B6-8EA1ED061508
isomeric SMILES	C/C=C\1/C[NH+]2CC[C@@H]1[C@](C3=C(CC2)C4=CC=CC=C4N3)(COC(=O)C)C(=O)OC
instance of	wds:Q74417576-A8A5AD6C-C390-408E-B39E-9F4244CB66F3
instance of	group of stereoisomers
subclass of	wds:Q74417576-3A636DD1-A2CB-464F-A234-A2768725ACF2 wds:Q74417576-5172ED1E-609A-42C9-B644-A9011BBFBAC6
subclass of	organic cation ammonium ion derivative
UniChem compound ID	wds:Q74417576-A7E954A8-B89A-4505-80E3-F8B78FEA0E35
canonical SMILES	wds:Q74417576-1B4C47DF-F13A-4443-8E36-CE48561ECD63
InChI	wds:Q74417576-E46FFAFB-77B3-4E6D-BF01-C3614F27F458
InChIKey	wds:Q74417576-22FF39FB-B93E-4383-A322-4A3BBC4B4FCC
chemical formula	wds:Q74417576-90E8E2CF-9A9F-441A-81F7-06017CD0A3BA
PubChem CID	wds:Q74417576-D408EEB1-04CA-45AD-9746-1D5F52FFA3A5
ChEBI ID	wds:Q74417576-46A5C63C-BDE1-4923-827F-FC0D23DBA37B
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135397928
ChEBI ID	http://purl.obolibrary.org/obo/CHEBI_142673
UniChem compound ID	167155117
canonical SMILES	CC=C1C[NH+]2CCc3c([nH]c4ccccc34)C(COC(C)=O)(C(=O)OC)C1CC2
InChI	InChI=1S/C23H28N2O4/c1-4-16-13-25-11-9-18-17-7-5-6-8-20(17)24-21(18)23(22(27)28-3,14-29-15(2)26)19(16)10-12-25/h4-8,19,24H,9-14H2,1-3H3/p+1/b16-4-/t19-,23-/m0/s1
InChIKey	ZNCUMLJVNWXVLT-ISNKGDJGSA-O
chemical formula	C₂₃H₂₉N₂O₄⁺
PubChem CID	135397928
ChEBI ID	142673
mass	wds:Q74417576-1B345E1C-244F-42AA-B65A-6D6B0372721A
mass	397.2121838280899 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q74417576
is main subject of	Solution of the multistep pathway for assembly of corynanthean, strychnos, iboga, and aspidosperma monoterpenoid indole alkaloids from 19E-geissoschizine.
is main subject of	wds:Q52365230-D6394C5B-36F0-4281-A7FA-E43C75DCFE94

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