CHEBI:209819 - Pestalotheol N

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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 Pestalotheol N
ChEBI ID CHEBI:209819
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H24O5
Net Charge 0
Average Mass 296.363
Monoisotopic Mass 296.16237
InChI InChI=1S/C16H24O5/c1-9(2)5-6-10-7-11-16(20,14(18)13(10)17)8-12(21-11)15(3,4)19/h5,11-14,17-20H,1,7-8H2,2-4H3/t6?,11-,12+,13+,14-,16-/m0/s1
InChIKey ZRLTUXPAGKYIQT-FFTGRYANSA-N
SMILES O1[C@@H]2[C@](O)([C@@H](O)[C@H](O)C(C2)=C=CC(=C)C)C[C@@H]1C(O)(C)C
Metabolite of Species Details
Pseudopestalotiopsis theae (NCBI:txid218556) See: PubMed
ChEBI Ontology
Outgoing Pestalotheol N (CHEBI:209819) is a benzofurans (CHEBI:35259)