CHEBI:203316 - Quanolirone I

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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 Quanolirone I
ChEBI ID CHEBI:203316
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H42O13
Net Charge 0
Average Mass 694.730
Monoisotopic Mass 694.26254
InChI InChI=1S/C37H42O13/c1-14-9-21-20(23(38)10-14)11-22-31(36(21)44)35(43)19-6-5-18(34(42)30(19)37(22)45)26-13-27(33(41)17(4)46-26)50-28-8-7-25(15(2)47-28)49-29-12-24(39)32(40)16(3)48-29/h5-6,9-11,15-17,24-29,32-33,38-42,44H,7-8,12-13H2,1-4H3
InChIKey WIJGEWVJMHOFER-UHFFFAOYSA-N
SMILES O=C1C2=C(O)C(=CC=C2C(=O)C=3C1=CC4=C(O)C=C(C=C4C3O)C)C5OC(C(O)C(C5)OC6OC(C(OC7OC(C(O)C(C7)O)C)CC6)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Quanolirone I (CHEBI:203316) is a quinone (CHEBI:36141)
Quanolirone I (CHEBI:203316) is a tetracenes (CHEBI:51270)
IUPAC Name
2-[4-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]-1,6,10-trihydroxy-8-methyltetracene-5,12-dione
Manual Xref Database
417640 ChemSpider
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