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CHEBI:222729 - Eupenifeldin

ChEBI IDCHEBI:222729
ChEBI NameEupenifeldin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40O7
Net Charge0
Average Mass548.676
Monoisotopic Mass548.27740
SMILESCc1cc(=O)c(O)cc2c1C[C@@H]1CC(C)(C)C=CC[C@@]3(C)Oc4cc(O)c(=O)cc(C)c4C[C@@H]3C[C@@H](O)[C@]1(C)O2
InChIInChI=1S/C33H40O7/c1-18-10-24(34)26(36)15-28-22(18)12-20-14-30(38)33(6)21(17-31(3,4)8-7-9-32(20,5)39-28)13-23-19(2)11-25(35)27(37)16-29(23)40-33/h7-8,10-11,15-16,20-21,30,38H,9,12-14,17H2,1-6H3,(H,34,36)(H,35,37)/t20-,21-,30-,32-,33-/m1/s1
InChIKeyBWTQHPFSWXJOGP-HFEZHTETSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (8360103)
ChEBI Ontology
Outgoing Relation(s)
Eupenifeldin (CHEBI:222729) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
(1R,3R,4R,14S,20R)-3,9,25-trihydroxy-4,11,16,16,20,27-hexamethyl-5,21-dioxapentacyclo[18.9.0.04,14.06,12.022,28]nonacosa-6,9,11,17,22,25,27-heptaene-8,24-dione