EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207150 - (+)-pratensilin C

ChEBI IDCHEBI:207150
ChEBI Name(+)-pratensilin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H19NO5
Net Charge0
Average Mass377.396
Monoisotopic Mass377.12632
SMILESCOc1cccc2c1[C@@]1(Oc3cc(C)cc4ccc(O)c1c34)N(CCO)C2=O
InChIInChI=1S/C22H19NO5/c1-12-10-13-6-7-15(25)20-18(13)17(11-12)28-22(20)19-14(4-3-5-16(19)27-2)21(26)23(22)8-9-24/h3-7,10-11,24-25H,8-9H2,1-2H3/t22-/m0/s1
InChIKeyTXNICMSEHSRCQN-QFIPXVFZSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (28840219)
ChEBI Ontology
Outgoing Relation(s)
(+)-pratensilin C (CHEBI:207150) is a naphthols (CHEBI:25392)
IUPAC Name 
(3R)-5-hydroxy-2'-(2-hydroxyethyl)-4'-methoxy-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-3,3'-isoindole]-1'-one
Manual XrefsDatabases
62253773ChemSpider