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CHEBI:205827 - Mannosylxylarinolide

ChEBI IDCHEBI:205827
ChEBI NameMannosylxylarinolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H56O9
Net Charge0
Average Mass608.813
Monoisotopic Mass608.39243
SMILESCC(C)[C@@H](C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4COC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C34H56O9/c1-17(2)18(3)31(43-32-30(40)29(39)28(38)25(15-35)42-32)27(37)19(4)22-9-10-23-21-8-7-20-16-41-26(36)12-14-33(20,5)24(21)11-13-34(22,23)6/h8,17-20,22-25,27-32,35,37-40H,7,9-16H2,1-6H3/t18-,19+,20+,22-,23+,24+,25-,27-,28-,29+,30+,31+,32+,33+,34-/m1/s1
InChIKeyDLBLYAWIXBZHLH-AIBBNWBVSA-N
Species of MetaboliteComponentSourceComments
Xylariaspecies (ncbitaxon:1715255) - PubMed (30693785)
ChEBI Ontology
Outgoing Relation(s)
Mannosylxylarinolide (CHEBI:205827) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(1R,3aR,5aR,10aR,10bR,12aR)-1-[(2S,3R,4S,5R)-3-hydroxy-5,6-dimethyl-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-10a,12a-dimethyl-1,2,3,3a,5,5a,6,9,10,10b,11,12-dodecahydroindeno[5,4-g][2]benzoxepin-8-one