CHEBI:199720 - Auxarthrol B

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ChEBI Name Auxarthrol B
ChEBI ID CHEBI:199720
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H18O9
Net Charge 0
Average Mass 354.311
Monoisotopic Mass 354.09508
InChI InChI=1S/C16H18O9/c1-14(22)5-15(23)10(18)7-3-6(25-2)4-8(17)9(7)11(19)16(15,24)13(21)12(14)20/h3-4,12-13,17,20-24H,5H2,1-2H3/t12-,13+,14-,15-,16-/m0/s1
InChIKey XICPGXMHBSJNAL-QRJUGERDSA-N
SMILES O=C1C2=C(O)C=C(OC)C=C2C(=O)[C@@]3([C@@]1(O)[C@H](O)[C@H](O)[C@](C3)(O)C)O
Metabolite of Species Details
Malbranchea umbrina (NCBI:txid203537) See: PubMed
ChEBI Ontology
Outgoing Auxarthrol B (CHEBI:199720) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name
(1R,2S,3S,4aR,9aS)-1,2,3,4a,8,9a-hexahydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione
Manual Xref Database
78436536 ChemSpider
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