CHEBI:205129 - Austrocortinin 8-O-beta-D-gentiobioside

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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 Austrocortinin 8-O-beta-D-gentiobioside
ChEBI ID CHEBI:205129
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H32O15
Net Charge 0
Average Mass 608.549
Monoisotopic Mass 608.17412
InChI InChI=1S/C28H32O15/c1-9-3-4-10-11(5-9)19(31)17-16(18(10)30)12(6-13(39-2)20(17)32)41-28-26(38)24(36)22(34)15(43-28)8-40-27-25(37)23(35)21(33)14(7-29)42-27/h3-6,14-15,21-29,32-38H,7-8H2,1-2H3/t14-,15-,21-,22-,23+,24+,25-,26-,27-,28-/m1/s1
InChIKey DNXGNXLLMIDINP-VISGYLFTSA-N
SMILES O=C1C2=C(O)C(OC)=CC(=C2C(=O)C3=C1C=C(C)C=C3)O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)CO
Metabolite of Species Details
Cortinarius persplendidus (NCBI:txid742022) See: DOI
ChEBI Ontology
Outgoing Austrocortinin 8-O-beta-D-gentiobioside (CHEBI:205129) is a anthraquinone (CHEBI:22580)
IUPAC Name
1-hydroxy-2-methoxy-7-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione
Manual Xref Database
78440212 ChemSpider
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