EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:197992 - Citreoanthrasteroide A

ChEBI IDCHEBI:197992
ChEBI NameCitreoanthrasteroide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O2
Net Charge0
Average Mass408.626
Monoisotopic Mass408.30283
SMILESCc1c2c(cc3c1C(=O)C[C@]1(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]31)CC[C@H](O)C2
InChIInChI=1S/C28H40O2/c1-16(2)17(3)7-8-18(4)24-11-12-25-23-13-20-9-10-21(29)14-22(20)19(5)27(23)26(30)15-28(24,25)6/h7-8,13,16-18,21,24-25,29H,9-12,14-15H2,1-6H3/b8-7+/t17-,18+,21-,24+,25-,28+/m0/s1
InChIKeyJEBBAGYMMFYRSR-ONNGXECCSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/s0040-4020(00)00157-5)
ChEBI Ontology
Outgoing Relation(s)
Citreoanthrasteroide A (CHEBI:197992) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3R,3aR,8S,11bR)-3-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-8-hydroxy-3a,6-dimethyl-2,3,4,7,8,9,10,11b-octahydro-1H-cyclopenta[a]anthracen-5-one
Manual XrefsDatabases
9924875ChemSpider