CHEBI:197576 - (4S,8R)-16-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-2,18-dihydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one

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ChEBI Name (4S,8R)-16-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-2,18-dihydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one
ChEBI ID CHEBI:197576
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H24O12
Net Charge 0
Average Mass 504.444
Monoisotopic Mass 504.12678
InChI InChI=1S/C24H24O12/c1-31-22-14(7-25)36-24(21(30)20(22)29)33-8-4-10(26)16-11(5-8)34-13-6-12-15(18(27)17(13)19(16)28)9-2-3-32-23(9)35-12/h4-6,9,14,20-27,29-30H,2-3,7H2,1H3/t9-,14+,20+,21+,22+,23+,24-/m0/s1
InChIKey AYRLBXKNNSGCHV-OKFDLKHQSA-N
SMILES O=C1C2=C(O)C3=C(O[C@@H]4[C@H]3CCO4)C=C2OC5=C1C(O)=CC(=C5)O[C@H]6O[C@@H]([C@@H](OC)[C@@H]([C@H]6O)O)CO
Metabolite of Species Details
Aschersonia (NCBI:txid100986) See: DOI
ChEBI Ontology
Outgoing (4S,8R)-16-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-2,18-dihydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one (CHEBI:197576) is a xanthones (CHEBI:51149)
IUPAC Name
(4S,8R)-16-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-2,18-dihydroxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14,16,18-hexaen-20-one
Manual Xref Database
78436232 ChemSpider
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