EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:227503 - Kadhenrischinin C

ChEBI IDCHEBI:227503
ChEBI NameKadhenrischinin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O6
Net Charge0
Average Mass496.644
Monoisotopic Mass496.28249
SMILESCC1(C)OC(=O)C=CC2=CC3=C(CC[C@H]21)[C@]1(C)C[C@@H](O)C([C@@H]2C[C@@H]4C[C@H]2OC(=O)[C@]4(C)O)[C@@]1(C)CC3
InChIInChI=1S/C30H40O6/c1-27(2)20-7-8-21-17(12-16(20)6-9-24(32)36-27)10-11-28(3)25(22(31)15-29(21,28)4)19-13-18-14-23(19)35-26(33)30(18,5)34/h6,9,12,18-20,22-23,25,31,34H,7-8,10-11,13-15H2,1-5H3/t18-,19-,20-,22-,23-,25?,28-,29+,30-/m1/s1
InChIKeyPLVSKJDNJZGZKR-SKIQFCRBSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30476897)
ChEBI Ontology
Outgoing Relation(s)
Kadhenrischinin C (CHEBI:227503) is a lactone (CHEBI:25000)
IUPAC Name 
(9R,13R,15R,17R)-15-hydroxy-16-[(1R,4R,5R,7S)-4-hydroxy-4-methyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl]-8,8,13,17-tetramethyl-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-trien-6-one