CHEBI:168773 - BL IV

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 IV
ChEBI ID CHEBI:168773
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H18O10
Net Charge 0
Average Mass 466.398
Monoisotopic Mass 466.09000
InChI InChI=1S/C24H18O10/c1-10(25)31-21-19(13-4-6-14(28)7-5-13)22(32-11(2)26)24-20(23(21)33-12(3)27)15-8-16(29)17(30)9-18(15)34-24/h4-9,28-30H,1-3H3
InChIKey DTOIFOOSMQSUBD-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(O)C=C4
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing BL IV (CHEBI:168773) is a benzofurans (CHEBI:35259)
IUPAC Name
[1,2-diacetyloxy-7,8-dihydroxy-3-(4-hydroxyphenyl)dibenzouran-4-yl] acetate
Manual Xrefs Databases
8519912 ChemSpider
C13746 KEGG COMPOUND
HMDB0034709 HMDB
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