EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:69466 - (2S,3S)-sulfated pterosin C

ChEBI IDCHEBI:69466
ChEBI Name(2S,3S)-sulfated pterosin C
Stars
DefinitionA natural product found in Acrostichum aureum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC14H18O6S
Net Charge0
Average Mass314.359
Monoisotopic Mass314.08241
SMILESCc1cc2c(c(C)c1CCOS(=O)(=O)O)C(=O)[C@@H](C)[C@@H]2O
InChIInChI=1S/C14H18O6S/c1-7-6-11-12(14(16)9(3)13(11)15)8(2)10(7)4-5-20-21(17,18)19/h6,9,13,15H,4-5H2,1-3H3,(H,17,18,19)/t9-,13-/m0/s1
InChIKeyAJYKBYFVDNGNQI-ZANVPECISA-N
Species of MetaboliteComponentSourceComments
Acrostichum aureum (ncbitaxon:29594) aerial part (BTO:0001658) PubMed (21899268) Methanolic extract of dried and pulverized aerial parts
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(2S,3S)-sulfated pterosin C (CHEBI:69466) has role metabolite (CHEBI:25212)
(2S,3S)-sulfated pterosin C (CHEBI:69466) is a indanones (CHEBI:24789)
Synonym  Source
2-[(1S,2S)-1-Hydroxy-2,4,6-trimethyl-3-oxo-2,3-dihydro-1H-inden-5-yl]ethyl hydrogen sulfateChEBI
Citations