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CHEBI:225357 - Verrulactone E

ChEBI IDCHEBI:225357
ChEBI NameVerrulactone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H20O12
Net Charge0
Average Mass560.467
Monoisotopic Mass560.09548
SMILESCOc1cc(O)c2c(c1)C1=CC(=O)[C@@]3(O)c4c(OC)cc(O)c5c(=O)oc6cc(O)c(O)c(c6c45)[C@H]3[C@@]1(C)OC2=O
InChIInChI=1S/C29H20O12/c1-28-11(10-4-9(38-2)5-12(30)18(10)27(36)41-28)6-17(33)29(37)23-16(39-3)7-13(31)19-21(23)20-15(40-26(19)35)8-14(32)24(34)22(20)25(28)29/h4-8,25,30-32,34,37H,1-3H3/t25-,28-,29+/m0/s1
InChIKeyCEKWTIRZBYIWGH-OWPQXHQJSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (26306815)
ChEBI Ontology
Outgoing Relation(s)
Verrulactone E (CHEBI:225357) is a organic heterotricyclic compound (CHEBI:26979)
Verrulactone E (CHEBI:225357) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2R,3R,15S)-7,15,19,25,26-pentahydroxy-9,17-dimethoxy-3-methyl-4,22-dioxaheptacyclo[14.10.2.02,15.03,12.06,11.020,28.023,27]octacosa-1(26),6(11),7,9,12,16,18,20(28),23(27),24-decaene-5,14,21-trione
Manual XrefsDatabases
78441575ChemSpider