EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225642 - Decaturin D

ChEBI IDCHEBI:225642
ChEBI NameDecaturin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H35NO4
Net Charge0
Average Mass473.613
Monoisotopic Mass473.25661
SMILESCC1=CC[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]12Cc1c(cc(-c3cccnc3)oc1=O)O2
InChIInChI=1S/C30H35NO4/c1-18-8-9-24-28(4)12-11-25(32)27(2,3)23(28)10-13-29(24,5)30(18)16-20-22(35-30)15-21(34-26(20)33)19-7-6-14-31-17-19/h6-8,14-15,17,23-24H,9-13,16H2,1-5H3/t23-,24+,28-,29+,30-/m0/s1
InChIKeyAHYSWFBBMLPXFU-XBRQCBKPSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (15787428)
ChEBI Ontology
Outgoing Relation(s)
Decaturin D (CHEBI:225642) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(2S,4'aR,4'bR,8'aR,10'aR)-1',1',4'a,7',8'a-pentamethyl-6-pyridin-3-ylspiro[3H-uro[3,2-c]pyran-2,8'-4,4b,5,9,10,10a-hexahydro-3H-phenanthrene]-2',4-dione
Manual XrefsDatabases
9354047ChemSpider