EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:206708 - Chrodrimanin Q

ChEBI IDCHEBI:206708
ChEBI NameChrodrimanin Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O8
Net Charge0
Average Mass482.529
Monoisotopic Mass482.19407
SMILESCC(=O)O[C@@H]1c2c3c(cc(O)c2C(=O)O[C@@H]1C)O[C@@]1(C)C(=O)C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@@H]1C3
InChIInChI=1S/C27H30O8/c1-12-23(34-13(2)28)21-14-9-18-26(5)8-7-19(30)25(3,4)17(26)11-20(31)27(18,6)35-16(14)10-15(29)22(21)24(32)33-12/h7-8,10,12,17-18,23,29H,9,11H2,1-6H3/t12-,17+,18+,23+,26+,27-/m1/s1
InChIKeyRGJJSEXJWOWLOR-ZTGKIRKPSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (28807715)
ChEBI Ontology
Outgoing Relation(s)
Chrodrimanin Q (CHEBI:206708) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
[(1S,5R,6R,14R,17R,22S)-10-hydroxy-6,14,18,18,22-pentamethyl-8,15,19-trioxo-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10,20-tetraen-5-yl] acetate
Manual XrefsDatabases
62429268ChemSpider