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CHEBI:215702 - Xyloneside A

ChEBI IDCHEBI:215702
ChEBI NameXyloneside A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O9
Net Charge0
Average Mass510.624
Monoisotopic Mass510.28288
SMILESC[C@H](/C=C/[C@H](C)C(C)(C)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O)[C@H]1CC[C@H]2C3=CC(=O)O[C@@]3(O)CC[C@]12C
InChIInChI=1S/C27H42O9/c1-14(16-8-9-17-18-12-20(29)35-27(18,33)11-10-26(16,17)5)6-7-15(2)25(3,4)36-24-23(32)22(31)21(30)19(13-28)34-24/h6-7,12,14-17,19,21-24,28,30-33H,8-11,13H2,1-5H3/b7-6+/t14-,15+,16-,17+,19+,21+,22-,23-,24-,26-,27+/m1/s1
InChIKeyFFLNVDRGMNVAGI-QAGXVUPISA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (32212411)
ChEBI Ontology
Outgoing Relation(s)
Xyloneside A (CHEBI:215702) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
(3aS,5aR,6R,8aR)-6-[(E,2R,5S)-5,6-dimethyl-6-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-3-en-2-yl]-3a-hydroxy-5a-methyl-4,5,6,7,8,8a-hexahydrocyclopenta[e][1]benzouran-2-one