CHEBI:217106 - Patientoside A

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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 Patientoside A
ChEBI ID CHEBI:217106
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H24O10
Net Charge 0
Average Mass 448.424
Monoisotopic Mass 448.13695
InChI InChI=1S/C22H24O10/c1-8-3-10-15(12(24)4-8)18(27)16-11(5-9(31-2)6-13(16)25)22(10,30)21-20(29)19(28)17(26)14(7-23)32-21/h3-6,14,17,19-21,23-26,28-30H,7H2,1-2H3/t14-,17-,19+,20-,21-,22+/m1/s1
InChIKey YRIBLYNKVATTRE-RURWLCLQSA-N
SMILES O=C1C2=C(O)C=C(OC)C=C2[C@](O)([C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)C=4C1=C(O)C=C(C)C4
Metabolite of Species Details
Aspergillus fumigatus (NCBI:txid746128) See: PubMed
ChEBI Ontology
Outgoing Patientoside A (CHEBI:217106) is a anthracenes (CHEBI:46955)
IUPAC Name
(10S)-1,8,10-trihydroxy-3-methoxy-6-methyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-one
Manual Xref Database
30814340 ChemSpider
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