CHEBI:192330 - BL III

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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 BL III
ChEBI ID CHEBI:192330
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H20O11
Net Charge 0
Average Mass 508.435
Monoisotopic Mass 508.10056
InChI InChI=1S/C26H20O11/c1-11(27)33-16-7-5-15(6-8-16)21-23(34-12(2)28)25(36-14(4)30)22-17-9-18(31)19(32)10-20(17)37-26(22)24(21)35-13(3)29/h5-10,31-32H,1-4H3
InChIKey RCCVHCHMVALAKN-UHFFFAOYSA-N
SMILES O1C2=C(C=3C1=CC(O)=C(O)C3)C(OC(=O)C)=C(OC(=O)C)C(=C2OC(=O)C)C4=CC=C(OC(=O)C)C=C4
Metabolite of Species Details
Ovis aries (NCBI:txid9940) Found in Rumen (NCIT:C98778). See: MetaboLights Study
ChEBI Ontology
Outgoing BL III (CHEBI:192330) is a benzofurans (CHEBI:35259)
IUPAC Name
[4-(1,2,4-triacetyloxy-7,8-dihydroxydibenzouran-3-yl)phenyl] acetate
Manual Xrefs Databases
8589360 ChemSpider
HMDB0039566 HMDB
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