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CHEBI:229099 - Deoxymorellin

ChEBI IDCHEBI:229099
ChEBI NameDeoxymorellin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H38O6
Net Charge0
Average Mass530.661
Monoisotopic Mass530.26684
SMILESCC(C)=CCc1c2c(c(O)c3c1OC14C(=CC5CC1C(C)(C)OC4(CC=C(C)C)C5=O)C3=O)C=CC(C)(C)O2
InChIInChI=1S/C33H38O6/c1-17(2)9-10-21-27-20(12-13-30(5,6)37-27)25(34)24-26(35)22-15-19-16-23-31(7,8)39-32(29(19)36,14-11-18(3)4)33(22,23)38-28(21)24/h9,11-13,15,19,23,34H,10,14,16H2,1-8H3
InChIKeyVZQQLPACAVHZQT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Deoxymorellin (CHEBI:229099) is a pyranoxanthones (CHEBI:71238)
IUPAC Name 
12-hydroxy-8,8,21,21-tetramethyl-5,19-bis(3-methylbut-2-enyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaene-14,18-dione
Manual XrefsDatabases
551783ChemSpider