About: Neochlorogenin

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About: Neochlorogenin Goto Sponge NotDistinct Permalink

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

chemical compound

Attributes	Values
rdf:type	Item
description	composto chimico (it) химическое соединение (ru) chemical compound (en) composé chimique (fr) תרכובת (he) kemisk forbindelse (da) compositum chemicum (la) chemische Verbindung (de) քիմիական միացություն (hy) chemická sloučenina (cs) chemická zlúčenina (sk) chemische verbinding (nl) kemia kombinaĵo (eo) związek chemiczny (pl) chemical compound (en-ca) chemical compound (en-gb) chemiese verbinding (af) chemische Verbindung (de-ch) component quimic (oc) compost químic (ca) composto químico (gl) composto químico (pt) composto químico (pt-br) compuesto quimico (an) compuestu químicu (ast) compus chimic (ro) kemiallinen yhdiste (fi) kjemisk forbindelse (nb) kjemisk sambinding (nn) komponim kimik (sq) konposatu kimiko (eu) senyawa kimia (id) ķīmisks savienojums (lv) хімічна сполука (uk) مركب كيميائي (ar) রাসায়নিক যৌগ (bn) compuesto químico (es) payvastagii khimiyaviy (tg-latn) пайвастагии химиявӣ (tg-cyrl) chemesch Verbindung (lb)
rdfs:label	Neochlorogenin (en)
skos:prefLabel	Neochlorogenin (en)
name	Neochlorogenin (en)
isomeric SMILES	wds:Q104395155-8952C806-1599-4166-B93A-F731AA6998E0
stereoisomer of	wds:Q104395155-382F5099-55B7-49A7-A60C-803B3527A9CC wds:Q104395155-4B8FF71C-7C4F-4F6A-A1E4-A0C6131F3F7D wds:Q104395155-BE31C087-A63A-4919-819E-201F0A5CDE65
isomeric SMILES	C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
stereoisomer of	chlorogenin (1'R,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S,18'R,19'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-16',19'-diol β-chlorogenin
instance of	wds:Q104395155-18F30483-1187-4A50-A168-B789F86FA446
instance of	type of chemical entity
subclass of	wds:Q104395155-81AE80C4-E2CE-4BB0-8734-2090BACD4C7D wds:Q104395155-B6836ACF-86D6-49DF-A9AC-A7B92393AE6A
subclass of	(5R,9'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-16',19'-diol 5alpha-Spirostan-3beta,6alpha-diol, (25S)-
found in taxon	wds:Q104395155-B1A108F0-68CB-4469-80E5-DE1A2035A671 wds:Q104395155-C24CB211-635F-41BA-AACF-9A03F191EED6 wds:Q104395155-E1DA2F29-1D57-4236-B403-3264B5E1BED2
found in taxon	Solanum torvum Solanum asperolanatum Solanum chrysotrichum
UniChem compound ID	wds:Q104395155-FBD5B0C3-9AC2-4942-B26D-7C5DA5D9C867
CAS Registry Number	wds:Q104395155-BAB24B16-3086-4247-B0C0-40D874B878EB
canonical SMILES	wds:Q104395155-6FDF6460-6045-42EC-9693-5C7C9012C54C
InChI	wds:Q104395155-57916F76-BEBF-4350-8199-EFAA12A0EF23
InChIKey	wds:Q104395155-29C08AB7-51EC-4E8B-A17E-42C2294C63D9
chemical formula	wds:Q104395155-070035F3-364A-44DD-A2EA-293D230E0377
PubChem CID	wds:Q104395155-3576D95E-3A52-44E7-AB52-99B2B100A861
ChEBI ID	wds:Q104395155-AAD4EFAD-9DF6-4BD3-878C-A1EF3F9D9BDD
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID12303066
ChEBI ID	http://purl.obolibrary.org/obo/CHEBI_191994
UniChem compound ID	56303782
CAS Registry Number	511-91-1
canonical SMILES	OC1CCC2(C)C3CCC4(C)C(CC5OC6(OCC(C)CC6)C(C)C54)C3CC(O)C2C1
InChI	InChI=1S/C27H44O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20-,21+,22-,23-,24-,25+,26-,27+/m0/s1
InChIKey	PZNPHSFXILSZTM-UNARIRTPSA-N
chemical formula	C₂₇H₄₄O₄
PubChem CID	12303066
ChEBI ID	191994
LIPID MAPS ID	wds:Q104395155-33D912FC-9E04-4468-9AD9-357265585038
LIPID MAPS ID	LMST01080020
mass	wds:Q104395155-6A004C5F-1DF5-48E7-BD74-056A516E234A
mass	432.323959888 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q104395155
is stereoisomer of of	chlorogenin (1'R,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S,18'R,19'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-16',19'-diol β-chlorogenin
is stereoisomer of of	wds:Q27282108-D0258AEB-8C48-4845-82ED-3506CF107CC5 wds:Q105217047-E51CDA17-C214-408B-9371-093F748D1B33 wds:Q27287965-3A752EAA-D16E-4C85-9C99-E70C1AE8339F
is main subject of	Chlorogenone and neochlorogenone from the unripe fruits of Solanum torvum Steroidal Sapogenins from Solanum scorpioideum Neochlorogenin, Neosolaspigenin, and Solaspigenin from Solanum torvum Leaves
is main subject of	wds:Q105178039-7FE2A7EB-FB7D-49C4-9C29-66E7BA60287B wds:Q104387860-A012CE98-3EA2-4908-B7F2-8FC4C3DBE050 wds:Q104395151-E2402537-3715-4365-9F3A-177A4FA6898D

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