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CHEBI:199498 - 2,3-hydro-7-deacetoxyyanuthone A

ChEBI IDCHEBI:199498
ChEBI Name2,3-hydro-7-deacetoxyyanuthone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O4
Net Charge0
Average Mass362.510
Monoisotopic Mass362.24571
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@]1(O)C(=O)C=C(C)[C@@H](O)[C@H]1O
InChIInChI=1S/C22H34O4/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-22(26)19(23)14-18(5)20(24)21(22)25/h8,10,12,14,20-21,24-26H,6-7,9,11,13H2,1-5H3/b16-10+,17-12+/t20-,21-,22-/m1/s1
InChIKeyOAJBJWHLTFTYAG-LZSPVNHTSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (14640527)
ChEBI Ontology
Outgoing Relation(s)
2,3-hydro-7-deacetoxyyanuthone A (CHEBI:199498) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(4R,5R,6S)-4,5,6-trihydroxy-3-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-one
Manual XrefsDatabases
9374337ChemSpider