EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207692 - Stemphone C

ChEBI IDCHEBI:207692
ChEBI NameStemphone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O7
Net Charge0
Average Mass514.659
Monoisotopic Mass514.29305
SMILESC/C=C(\C)C(OC(C)=O)C(C)C1=CC(=O)C2=C(OC3(C)CCC4OC(C(C)(C)O)CCC4(C)C3C2)C1=O
InChIInChI=1S/C30H42O7/c1-9-16(2)26(35-18(4)31)17(3)19-14-21(32)20-15-22-29(7)12-10-23(28(5,6)34)36-24(29)11-13-30(22,8)37-27(20)25(19)33/h9,14,17,22-24,26,34H,10-13,15H2,1-8H3/b16-9+
InChIKeyPCVLRJLCHOQVIX-CXUHLZMHSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (16466023)
ChEBI Ontology
Outgoing Relation(s)
Stemphone C (CHEBI:207692) is a oxanes (CHEBI:46942)
IUPAC Name 
[(E)-2-[3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhex-4-en-3-yl] acetate
Manual XrefsDatabases
9873920ChemSpider