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CHEBI:198721 - Pentacecilide D

Default Structure
ChEBI IDCHEBI:198721
ChEBI NamePentacecilide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O7
Net Charge0
Average Mass444.524
Monoisotopic Mass444.21480
SMILESC[C@H]1Cc2c3c(cc(O)c2C(=O)O1)O[C@]1(C)[C@H](C3)[C@@]2(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]2C[C@@H]1O
InChIInChI=1S/C25H32O7/c1-11-6-13-12-7-18-24(4)10-15(27)21(29)23(2,3)17(24)9-19(28)25(18,5)32-16(12)8-14(26)20(13)22(30)31-11/h8,11,15,17-19,26-28H,6-7,9-10H2,1-5H3/t11-,15+,17-,18+,19-,24-,25+/m0/s1
InChIKeyVCNAFGMPMGHLGZ-WJBURNOASA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (20414320)
ChEBI Ontology
Outgoing Relation(s)
Pentacecilide D (CHEBI:198721) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(1R,6S,14R,15S,17R,20R,22S)-10,15,20-trihydroxy-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
28287666ChemSpider