CHEBI:227043 - Flavoroseoside B

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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 Flavoroseoside B
ChEBI ID CHEBI:227043
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H17ClO8
Net Charge 0
Average Mass 360.740
Monoisotopic Mass 360.06120
InChI InChI=1S/C15H17ClO8/c1-5-2-6-10(14(21)22-5)7(18)3-8(11(6)16)23-15-13(20)12(19)9(4-17)24-15/h3,5,9,12-13,15,17-20H,2,4H2,1H3/t5-,9-,12-,13-,15+/m1/s1
InChIKey PJTWTEDKJNSLSF-NKLJSFOLSA-N
SMILES ClC1=C(O[C@H]2O[C@H](CO)[C@H]([C@H]2O)O)C=C(O)C3=C1C[C@@H](C)OC3=O
Metabolite of Species Details
[Malbranchea flavorosea (NCBI:txid465703) See: PubMed
ChEBI Ontology
Outgoing Flavoroseoside B (CHEBI:227043) is a glycoside (CHEBI:24400)
IUPAC Name
(3R)-5-chloro-6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one
Manual Xref Database
78438860 ChemSpider
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