EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209750 - Cytosporin P

ChEBI IDCHEBI:209750
ChEBI NameCytosporin P
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H32O6
Net Charge0
Average Mass356.459
Monoisotopic Mass356.21989
SMILESCCCCCC=CC1=C(CO)[C@H]2OC(C)(C)[C@H](O)C[C@@]2(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C19H32O6/c1-4-5-6-7-8-9-12-13(11-20)17-19(24,16(23)15(12)22)10-14(21)18(2,3)25-17/h8-9,14-17,20-24H,4-7,10-11H2,1-3H3/t14-,15-,16+,17-,19-/m1/s1
InChIKeyYIJNGBSLCYIZDT-OGJJZOIMSA-N
Species of MetaboliteComponentSourceComments
Pseudopestalotiopsis theae (ncbitaxon:218556) - PubMed (32102178)
ChEBI Ontology
Outgoing Relation(s)
Cytosporin P (CHEBI:209750) is a benzopyran (CHEBI:22727)
IUPAC Name 
(3R,4aR,5S,6R,8aR)-7-hept-1-enyl-8-(hydroxymethyl)-2,2-dimethyl-4,5,6,8a-tetrahydro-3H-chromene-3,4a,5,6-tetrol