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CHEBI:202817 - Pentacecilide A

ChEBI IDCHEBI:202817
ChEBI NamePentacecilide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O5
Net Charge0
Average Mass412.526
Monoisotopic Mass412.22497
SMILESC[C@H]1Cc2c3c(cc(O)c2C(=O)O1)O[C@@]1(C)CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1C3
InChIInChI=1S/C25H32O5/c1-13-10-15-14-11-19-24(4)8-7-20(27)23(2,3)18(24)6-9-25(19,5)30-17(14)12-16(26)21(15)22(28)29-13/h12-13,18-19,26H,6-11H2,1-5H3/t13-,18-,19+,24-,25-/m0/s1
InChIKeyCFWQLQINZAVWGP-MCSRLXKLSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (19300470)
ChEBI Ontology
Outgoing Relation(s)
Pentacecilide A (CHEBI:202817) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(1R,6S,14S,17R,22S)-10-hydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10-triene-8,19-dione
Manual XrefsDatabases
78436918ChemSpider