CHEBI:216891 - PI-220

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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 PI-220
ChEBI ID CHEBI:216891
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H26O6
Net Charge 0
Average Mass 386.444
Monoisotopic Mass 386.17294
InChI InChI=1S/C22H26O6/c1-11-17(24)15-13(18(25)19(11)27-6)10-14(23)16-20(15)28-12(2)22(16,5)9-7-8-21(3,4)26/h7-8,10,12,23,26H,9H2,1-6H3/b8-7+/t12-,22-/m0/s1
InChIKey BOPUOIHQJXMJIR-VIVTXNIKSA-N
SMILES O=C1C(OC)=C(C(=O)C2=C1C=C(O)C3=C2O[C@@H](C)[C@@]3(C/C=C/C(O)(C)C)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: DOI
ChEBI Ontology
Outgoing PI-220 (CHEBI:216891) is a naphthofuran (CHEBI:39270)
IUPAC Name
(2S,3R)-4-hydroxy-3-[(E)-4-hydroxy-4-methylpent-2-enyl]-7-methoxy-2,3,8-trimethyl-2H-benzo[g][1]benzouran-6,9-dione
Manual Xref Database
78438128 ChemSpider
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