CHEBI:199814 - K1115 B2

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ChEBI Name K1115 B2
ChEBI ID CHEBI:199814
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H26O9
Net Charge 0
Average Mass 446.452
Monoisotopic Mass 446.15768
InChI InChI=1S/C23H26O9/c1-4-5-14-16-11(6-10(2)31-14)7-12-17(20(16)27)21(28)18(22(29-3)19(12)26)23-30-9-13(25)15(8-24)32-23/h6-7,13-15,23-25,27H,4-5,8-9H2,1-3H3
InChIKey OVYINHDUCFPXIJ-UHFFFAOYSA-N
SMILES O=C1C(OC)=C(C(=O)C2=C1C=C3C=C(C)OC(C3=C2O)CCC)C4OC(C(O)CO4)CO
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing K1115 B2 (CHEBI:199814) is a quinone (CHEBI:36141)
IUPAC Name
10-hydroxy-8-[5-hydroxy-4-(hydroxymethyl)-1,3-dioxan-2-yl]-7-methoxy-3-methyl-1-propyl-1H-benzo[g]isochromene-6,9-dione
Manual Xref Database
8798607 ChemSpider
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