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CHEBI:225251 - Pestaloficiol L

ChEBI IDCHEBI:225251
ChEBI NamePestaloficiol L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H34O9
Net Charge0
Average Mass574.626
Monoisotopic Mass574.22028
SMILESCOC(=O)c1cc(OC)cc(O)c1C(=O)c1c(O)cc(C)c(C2=CC(C)(C)Oc3c(CC=C(C)C)cc(O)cc32)c1O
InChIInChI=1S/C33H34O9/c1-16(2)8-9-18-11-19(34)12-21-23(15-33(4,5)42-31(18)21)26-17(3)10-24(35)28(29(26)37)30(38)27-22(32(39)41-7)13-20(40-6)14-25(27)36/h8,10-15,34-37H,9H2,1-7H3
InChIKeyOKBVEGJXRLVXHT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis fici (ncbitaxon:393283) - PubMed (19618920)
ChEBI Ontology
Outgoing Relation(s)
Pestaloficiol L (CHEBI:225251) is a neoflavonoid (CHEBI:71971)
IUPAC Name 
methyl 2-[2,6-dihydroxy-3-[6-hydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-4-yl]-4-methylbenzoyl]-3-hydroxy-5-methoxybenzoate
Manual XrefsDatabases
24653906ChemSpider