CHEBI:210309 - Aturanoside A

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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 Aturanoside A
ChEBI ID CHEBI:210309
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H37NO14
Net Charge 0
Average Mass 647.630
Monoisotopic Mass 647.22140
InChI InChI=1S/C31H37NO14/c1-4-5-13-6-15(9-17-20(13)26(40)21-16(24(17)38)7-14(35)8-18(21)36)44-31-29(28(42)23(37)11(2)43-31)46-30-22(32-12(3)34)27(41)25(39)19(10-33)45-30/h6-9,11,19,22-23,25,27-31,33,35-37,39,41-42H,4-5,10H2,1-3H3,(H,32,34)/t11-,19+,22+,23-,25+,27+,28+,29+,30+,31-/m0/s1
InChIKey TWYJFYNIDQGHLG-PXSFCNLWSA-N
SMILES O=C1C2=C(O)C=C(O)C=C2C(=O)C3=C1C(=CC(=C3)O[C@@H]4O[C@H]([C@H](O)[C@H]([C@H]4O[C@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5NC(=O)C)O)CO)O)C)CCC
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Aturanoside A (CHEBI:210309) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name
N-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4R,5R,6S)-2-(5,7-dihydroxy-9,10-dioxo-4-propylanthracen-2-yl)oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Manual Xref Database
78439885 ChemSpider
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