CHEBI:218803 - Purpactin B

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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 Purpactin B
ChEBI ID CHEBI:218803
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H26O7
Net Charge 0
Average Mass 414.454
Monoisotopic Mass 414.16785
InChI InChI=1S/C23H26O7/c1-12(2)8-18(29-14(4)25)16-6-7-17-20(21(16)28-5)22(27)23(30-17)15(11-24)9-13(3)10-19(23)26/h6-7,9-10,12,18,24H,8,11H2,1-5H3
InChIKey CQBZGPJDYMTTCO-UHFFFAOYSA-N
SMILES O=C1C=C(C=C(C12OC=3C=CC(=C(C3C2=O)OC)C(OC(=O)C)CC(C)C)CO)C
Metabolite of Species Details
Talaromyces purpureogenus (NCBI:txid1266744) See: PubMed
ChEBI Ontology
Outgoing Purpactin B (CHEBI:218803) is a benzofurans (CHEBI:35259)
IUPAC Name
[1-[1'-(hydroxymethyl)-4-methoxy-3'-methyl-3,5'-dioxospiro[1-benzouran-2,6'-cyclohexa-1,3-diene]-5-yl]-3-methylbutyl] acetate
Manual Xref Database
169686 ChemSpider
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