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CHEBI:221685 - 4,8,10,14-tetramethyl-6-acetoxy-14-[16-acetoxy-19-(20,21-dimethyl)-18-ene]phenanthrene-1-ene-3,7-dione

ChEBI IDCHEBI:221685
ChEBI Name4,8,10,14-tetramethyl-6-acetoxy-14-[16-acetoxy-19-(20,21-dimethyl)-18-ene]phenanthrene-1-ene-3,7-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42O6
Net Charge0
Average Mass486.649
Monoisotopic Mass486.29814
SMILESCC(=O)OC(CC=C(C)C)C[C@@]1(C)CCC[C@H]2[C@@]3(C)C=CC(=O)[C@@H](C)[C@@H]3[C@H](OC(C)=O)C(=O)[C@@]21C
InChIInChI=1S/C29H42O6/c1-17(2)11-12-21(34-19(4)30)16-27(6)14-9-10-23-28(7)15-13-22(32)18(3)24(28)25(35-20(5)31)26(33)29(23,27)8/h11,13,15,18,21,23-25H,9-10,12,14,16H2,1-8H3/t18-,21?,23+,24-,25+,27-,28-,29-/m1/s1
InChIKeyGSGLWPRVSBCOJV-AZQYEMCNSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) - PubMed (25594349)
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
4,8,10,14-tetramethyl-6-acetoxy-14-[16-acetoxy-19-(20,21-dimethyl)-18-ene]phenanthrene-1-ene-3,7-dione (CHEBI:221685) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
[(1R,4aS,4bR,8S,8aS,9S,10aS)-1-(2-acetyloxy-5-methylhex-4-enyl)-1,4b,8,10a-tetramethyl-7,10-dioxo-3,4,4a,8,8a,9-hexahydro-2H-phenanthren-9-yl] acetate
Manual XrefsDatabases
34451994ChemSpider