CHEBI:227449 - Paradictyoarthrin 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 Paradictyoarthrin B
ChEBI ID CHEBI:227449
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H16O8
Net Charge 0
Average Mass 336.296
Monoisotopic Mass 336.08452
InChI InChI=1S/C16H16O8/c1-14(22)5-15-10(18)7-3-6(23-2)4-8(17)9(7)11(19)16(15,24-15)13(21)12(14)20/h3-4,12-13,17,20-22H,5H2,1-2H3/t12-,13+,14-,15-,16-/m0/s1
InChIKey UCEZSAYKHGKFBH-QRJUGERDSA-N
SMILES O=C1C2=C(O)C=C(OC)C=C2C(=O)[C@@]34[C@@]1(O3)[C@H](O)[C@H](O)[C@](C4)(O)C
Metabolite of Species Details
Paradictyoarthrinium (NCBI:txid1088017) See: PubMed
ChEBI Ontology
Outgoing Paradictyoarthrin B (CHEBI:227449) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name
(1S,10R,12S,13S,14R)-4,12,13,14-tetrahydroxy-6-methoxy-12-methyl-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-triene-2,9-dione
Manual Xref Database
35517007 ChemSpider
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