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CHEBI:218421 - Trinulactone A

ChEBI IDCHEBI:218421
ChEBI NameTrinulactone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36O5
Net Charge0
Average Mass404.547
Monoisotopic Mass404.25627
SMILESCO[C@H]1OC(=O)C(O)=C1[C@H]1C(C)=CC[C@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C24H36O5/c1-13-7-8-15-23(4)12-10-16(25)22(2,3)14(23)9-11-24(15,5)18(13)17-19(26)20(27)29-21(17)28-6/h7,14-16,18,21,25-26H,8-12H2,1-6H3/t14-,15+,16-,18+,21-,23-,24-/m0/s1
InChIKeyALFSVHZILAQVLH-COKWIYGLSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1177/1934578X1801301105)
ChEBI Ontology
Outgoing Relation(s)
Trinulactone A (CHEBI:218421) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(2S)-3-[(1S,4aR,4bR,7S,8aR,10aS)-7-hydroxy-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-1-yl]-4-hydroxy-2-methoxy-2H-uran-5-one