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CHEBI:199963 - Periconicin B

ChEBI IDCHEBI:199963
ChEBI NamePericonicin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESCC(CO)C1=C2C/C=C(/C=O)[C@H]3C(=O)[C@H](O)[C@H](C)[C@@H]3C[C@@]2(C)CC1
InChIInChI=1S/C20H28O4/c1-11(9-21)14-6-7-20(3)8-15-12(2)18(23)19(24)17(15)13(10-22)4-5-16(14)20/h4,10-12,15,17-18,21,23H,5-9H2,1-3H3/b13-4-/t11?,12-,15+,17-,18-,20-/m1/s1
InChIKeyNDSSXIGJWWQDCU-XWTNHUPPSA-N
Species of MetaboliteComponentSourceComments
Periconiaspecies (ncbitaxon:1756127) - PubMed (15043428)
ChEBI Ontology
Outgoing Relation(s)
Periconicin B (CHEBI:199963) is a organic hydroxy compound (CHEBI:33822)
IUPAC Name 
(1R,3S,4R,5R,7S,8E)-5-hydroxy-12-(1-hydroxypropan-2-yl)-1,4-dimethyl-6-oxotricyclo[9.3.0.03,7]tetradeca-8,11-diene-8-carbaldehyde
Manual XrefsDatabases
78440801ChemSpider