About: Tolytoxin     Goto   Sponge   NotDistinct   Permalink

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

chemical compound

AttributesValues
rdf:type
description
  • химическое соединение (ru)
  • chemical compound (en)
  • composé chimique (fr)
  • compositum chemicum (la)
  • chemische Verbindung (de)
  • chemische verbinding (nl)
  • compuestu químicu (ast)
  • хімічна сполука (uk)
  • রাসায়নিক যৌগ (bn)
rdfs:label
  • Tolytoxin (en)
skos:prefLabel
  • Tolytoxin (en)
name
  • Tolytoxin (en)
isomeric SMILES
isomeric SMILES
  • C[C@H]1[C@@H](C[C@@H]([C@]2(CO2)[C@H](C[C@@H]3CC=C[C@H](O3)C[C@H]([C@H](/C=C(/C=C/C(=O)O[C@@H]1[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)/C=C/N(C)C=O)OC)O)\C)O)OC)OC)OC)OC
instance of
instance of
subclass of
subclass of
found in taxon
found in taxon
UniChem compound ID
CAS Registry Number
canonical SMILES
InChI
InChIKey
chemical formula
DSSTox substance ID
PubChem CID
ChEBI ID
DSSTOX compound identifier
PubChem CID
ChEBI ID
UniChem compound ID
  • 287418
CAS Registry Number
  • 127999-44-4
canonical SMILES
  • O=CN(C=CC(C)C(OC)C(C(=O)CCC(C)C(O)C(C)C1OC(=O)C=CC(=CC(O)C(OC)CC2OC(CC=C2)CC(OC)C3(OC3)C(OC)CC(OC)C1C)C)C)C
InChI
  • InChI=1S/C46H75NO13/c1-28-16-19-42(51)60-45(33(6)43(52)29(2)17-18-36(49)31(4)44(57-12)30(3)20-21-47(7)27-48)32(5)38(53-8)25-41(56-11)46(26-58-46)40(55-10)24-35-15-13-14-34(59-35)23-39(54-9)37(50)22-28/h13-14,16,19-22,27,29-35,37-41,43-45,50,52H,15,17-18,23-26H2,1-12H3/b19-16+,21-20+,28-22+/t29-,30+,31-,32-,33-,34-,35-,37-,38+,39+,40-,41-,43-,44+,45-,46-/m0/s1
InChIKey
  • FTGOWEQDZZMPNJ-GUMZKTDUSA-N
chemical formula
  • C₄₆H₇₅NO₁₃
DSSTox substance ID
  • DTXSID20893517
PubChem CID
  • 6440827
ChEBI ID
  • 176925
DSSTOX compound identifier
  • DTXCID401323538
mass
mass
Natural Product Atlas ID
Natural Product Atlas ID
  • NPA028862
is about of
is main subject of
is main subject of
Faceted Search & Find service v1.16.117 as of May 05 2024


Alternative Linked Data Documents: ODE     Content Formats:   [cxml] [csv]     RDF   [text] [turtle] [ld+json] [rdf+json] [rdf+xml]     ODATA   [atom+xml] [odata+json]     Microdata   [microdata+json] [html]    About   
This material is Open Knowledge   W3C Semantic Web Technology [RDF Data] Valid XHTML + RDFa
OpenLink Virtuoso version 07.20.3239 as of May 5 2024, on Linux (x86_64-centos_6-linux-gnu), Single-Server Edition (378 GB total memory, 190 GB memory in use)
Data on this page belongs to its respective rights holders.
Virtuoso Faceted Browser Copyright © 2009-2024 OpenLink Software