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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2S,3S)-sulfated pterosin C
ChEBI ID CHEBI:69466
Definition A natural product found in Acrostichum aureum.
Stars This entity has been manually annotated by a third party.
Supplier Information ZINC000072142408
Download Molfile XML SDF
Formula C14H18O6S
Net Charge 0
Average Mass 314.35400
Monoisotopic Mass 314.08241
InChI InChI=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
InChIKey AJYKBYFVDNGNQI-ZANVPECISA-N
SMILES C[C@H]1[C@H](O)c2cc(C)c(CCOS(O)(=O)=O)c(C)c2C1=O
Metabolite of Species Details
Acrostichum aureum (NCBI:txid29594) Found in aerial part (BTO:0001658). Methanolic extract of dried and pulverized aerial parts See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 sulfate ChEBI
Citation Waiting for Citations Type Source
21899268 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:aromatic ketone(CHEBI:76224); ISA:sulfuric ester(CHEBI:26819); ISA:alkyl sulfate(CHEBI:29281); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:secondary alcohol(CHEBI:35681); ISA:organic heterocyclic compound(CHEBI:24532);