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CHEBI:216987 - Herpotrichone A

ChEBI IDCHEBI:216987
ChEBI NameHerpotrichone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O7
Net Charge0
Average Mass402.443
Monoisotopic Mass402.16785
SMILESCCC[C@H]1c2c(OC)cc(=O)oc2C[C@H]2[C@H](C)O[C@H](OC)C3=C[C@H]4O[C@H]4C(=O)[C@]312
InChIInChI=1S/C22H26O7/c1-5-6-11-18-14(25-3)9-17(23)28-15(18)7-12-10(2)27-21(26-4)13-8-16-19(29-16)20(24)22(11,12)13/h8-12,16,19,21H,5-7H2,1-4H3/t10-,11-,12-,16+,19+,21-,22+/m0/s1
InChIKeyXMZRXROVLVZVQL-RMSWSPEHSA-N
Species of MetaboliteComponentSourceComments
Herpotrichia (ncbitaxon:45144) - PubMed (31874039)
ChEBI Ontology
Outgoing Relation(s)
Herpotrichone A (CHEBI:216987) is a pyranone (CHEBI:37963)
IUPAC Name 
(1R,3R,5R,8S,10S,11R,19S)-8,17-dimethoxy-10-methyl-19-propyl-4,9,14-trioxapentacyclo[9.8.0.01,7.03,5.013,18]nonadeca-6,13(18),16-triene-2,15-dione