CHEBI:225251 - Pestaloficiol L

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Pestaloficiol L
ChEBI ID CHEBI:225251
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H34O9
Net Charge 0
Average Mass 574.626
Monoisotopic Mass 574.22028
InChI InChI=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
InChIKey OKBVEGJXRLVXHT-UHFFFAOYSA-N
SMILES O=C(OC)C1=C(C(O)=CC(=C1)OC)C(=O)C2=C(O)C(C=3C4=C(OC(C3)(C)C)C(=CC(=C4)O)CC=C(C)C)=C(C)C=C2O
Metabolite of Species Details
Pestalotiopsis fici (NCBI:txid393283) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
24653906 ChemSpider
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