CHEBI:212459 - Pestaloficiol T

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ChEBI Name Pestaloficiol T
ChEBI ID CHEBI:212459
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H36O12
Net Charge 0
Average Mass 600.617
Monoisotopic Mass 600.22068
InChI InChI=1S/C31H36O12/c1-6-7-8-9-10-23(29-20(16-32)24(39-4)15-26(35)43-29)42-31(37)27-21(33)11-17(2)12-25(27)41-28-19(30(36)40-5)13-18(38-3)14-22(28)34/h11-15,23,32-34H,6-10,16H2,1-5H3/t23-/m0/s1
InChIKey XCYKAMMGHWDGSQ-QHCPKHFHSA-N
SMILES O=C1OC(=C(CO)C(=C1)OC)[C@@H](OC(=O)C2=C(OC3=C(O)C=C(OC)C=C3C(=O)OC)C=C(C)C=C2O)CCCCCC
Metabolite of Species Details
Pestalotiopsis fici (NCBI:txid393283) See: PubMed
ChEBI Ontology
Outgoing Pestaloficiol T (CHEBI:212459) is a aromatic ether (CHEBI:35618)
IUPAC Name
[(1S)-1-[3-(hydroxymethyl)-4-methoxy-6-oxopyran-2-yl]heptyl] 2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate
Manual Xref Database
78441116 ChemSpider
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