CHEBI:227151 - (1S,3S)-austrocortilutein 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 (1S,3S)-austrocortilutein 8-O-beta-D-gentiobioside
ChEBI ID CHEBI:227151
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H36O16
Net Charge 0
Average Mass 628.580
Monoisotopic Mass 628.20034
InChI InChI=1S/C28H36O16/c1-28(39)5-11-16(12(30)6-28)21(34)17-10(18(11)31)3-9(40-2)4-13(17)42-27-25(38)23(36)20(33)15(44-27)8-41-26-24(37)22(35)19(32)14(7-29)43-26/h3-4,12,14-15,19-20,22-27,29-30,32-33,35-39H,5-8H2,1-2H3/t12-,14+,15+,19+,20+,22-,23-,24+,25+,26+,27+,28-/m0/s1
InChIKey ZHQBWGJFLQHALO-RHRFXCQBSA-N
SMILES O=C1C2=C(O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO)C=C(OC)C=C2C(=O)C5=C1[C@@H](O)C[C@](C5)(O)C
Metabolite of Species Details
Cortinarius persplendidus (NCBI:txid742022) See: DOI
ChEBI Ontology
Outgoing (1S,3S)-austrocortilutein 8-O-beta-D-gentiobioside (CHEBI:227151) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name
(1S,3S)-1,3-dihydroxy-6-methoxy-3-methyl-8-[(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]oxy-2,4-dihydro-1H-anthracene-9,10-dione
Manual Xref Database
78440329 ChemSpider
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