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CHEBI:209329 - Dehydroxynoreupenifeldin

ChEBI IDCHEBI:209329
ChEBI NameDehydroxynoreupenifeldin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40O6
Net Charge0
Average Mass532.677
Monoisotopic Mass532.28249
SMILESCc1cc(O)c(=O)cc2c1C[C@@H]1CC[C@]3(C)Oc4cc(=O)c(O)cc(C)c4C[C@@H]3CC(C)(C)/C=C/C[C@@]1(C)O2
InChIInChI=1S/C33H40O6/c1-19-12-25(34)27(36)16-29-23(19)14-21-8-11-33(6)22(18-31(3,4)9-7-10-32(21,5)38-29)15-24-20(2)13-26(35)28(37)17-30(24)39-33/h7,9,12-13,16-17,21-22H,8,10-11,14-15,18H2,1-6H3,(H,34,36)(H,35,37)/b9-7+/t21-,22+,32+,33-/m0/s1
InChIKeyOZUFBPGYZATQSZ-KULONADFSA-N
Species of MetaboliteComponentSourceComments
Neosetophoma (ncbitaxon:798068) - PubMed (30620608)
ChEBI Ontology
Outgoing Relation(s)
Dehydroxynoreupenifeldin (CHEBI:209329) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
(1S,4S,14S,17E,20R)-9,25-dihydroxy-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