CHEBI:214962 - Speciosin V

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Speciosin V
ChEBI ID CHEBI:214962
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H22O4
Net Charge 0
Average Mass 278.348
Monoisotopic Mass 278.15181
InChI InChI=1S/C16H22O4/c1-10(2)6-7-16-14(19)12(5-4-11(3)9-17)8-13(18)15(16)20-16/h6,8,11,13-15,17-19H,7,9H2,1-3H3/t11?,13-,14-,15-,16+/m0/s1
InChIKey LJLFIAMCYDTZNS-VEIVBXGLSA-N
SMILES O1[C@@]2([C@@H](O)C(C#CC(CO)C)=C[C@@H]([C@H]12)O)CC=C(C)C
Metabolite of Species Details
Stagonosporaspecies (NCBI:txid1904476) See: DOI
ChEBI Ontology
Outgoing Speciosin V (CHEBI:214962) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(1R,2S,5S,6S)-3-(4-hydroxy-3-methylbut-1-ynyl)-1-(3-methylbut-2-enyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol