CHEBI:208369 - Auxarthrol E

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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 Auxarthrol E
ChEBI ID CHEBI:208369
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H20O9
Net Charge 0
Average Mass 356.327
Monoisotopic Mass 356.11073
InChI InChI=1S/C16H20O9/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/h3-4,10,12-13,17-18,20-24H,5H2,1-2H3/t10-,12+,13-,14+,15+,16+/m0/s1
InChIKey DGRIIEWIHKDKEK-MRHCDFOMSA-N
SMILES O=C1C2=C(O)C=C(OC)C=C2[C@H](O)[C@]3([C@]1(O)[C@@H](O)[C@@H](O)[C@@](C3)(O)C)O
Metabolite of Species Details
Sporendonema casei (NCBI:txid1158108) See: PubMed
ChEBI Ontology
Outgoing Auxarthrol E (CHEBI:208369) is a anthracenes (CHEBI:46955)
IUPAC Name
(1S,2R,3R,4aR,9aR,10S)-1,2,3,4a,8,9a,10-heptahydroxy-6-methoxy-3-methyl-1,2,4,10-tetrahydroanthracen-9-one
Manual Xref Database
76117771 ChemSpider
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