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CHEBI:209772 - Cytosporin S

ChEBI IDCHEBI:209772
ChEBI NameCytosporin S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H30O6
Net Charge0
Average Mass354.443
Monoisotopic Mass354.20424
SMILESCCC[C@@H](O)CC=CC1=C(CO)[C@H]2OC(C)(C)[C@H](O)C[C@]23O[C@@H]3[C@@H]1O
InChIInChI=1S/C19H30O6/c1-4-6-11(21)7-5-8-12-13(10-20)16-19(17(25-19)15(12)23)9-14(22)18(2,3)24-16/h5,8,11,14-17,20-23H,4,6-7,9-10H2,1-3H3/t11-,14-,15-,16-,17-,19+/m1/s1
InChIKeyPKHWLGJKEFJMPT-CAOSTJHZSA-N
Species of MetaboliteComponentSourceComments
Pseudopestalotiopsis theae (ncbitaxon:218556) - PubMed (32102178)
ChEBI Ontology
Outgoing Relation(s)
Cytosporin S (CHEBI:209772) is a oxanes (CHEBI:46942)
IUPAC Name 
(1aR,2R,4aR,7R,8aS)-3-[(4R)-4-hydroxyhept-1-enyl]-4-(hydroxymethyl)-6,6-dimethyl-2,4a,7,8-tetrahydro-1aH-oxireno[2,3-e]chromene-2,7-diol