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CHEBI:219240 - Aurisin K

ChEBI IDCHEBI:219240
ChEBI NameAurisin K
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H36O8
Net Charge0
Average Mass524.610
Monoisotopic Mass524.24102
SMILESC[C@H]1[C@@H]2[C@H]3[C@H](C)[C@]4(C)C(=C(O)C(=O)[C@H]5[C@@H]4C5(C)C)C(=O)[C@@]3(O)O[C@@H]2C(=O)C2=C(O)C(=O)[C@H]3[C@H](C3(C)C)[C@@]21C
InChIInChI=1S/C30H36O8/c1-9-11-12-10(2)29(8)16(20(34)19(33)15-24(29)27(15,5)6)25(36)30(12,37)38-22(11)21(35)13-17(31)18(32)14-23(26(14,3)4)28(9,13)7/h9-12,14-15,22-24,31,34,37H,1-8H3/t9-,10-,11+,12+,14-,15-,22-,23+,24+,28+,29+,30-/m0/s1
InChIKeyRIBYBXVHBJUTBB-NAYZGCARSA-N
Species of MetaboliteComponentSourceComments
Neonothopanus (ncbitaxon:71957) - DOI (10.1016/j.tet.2012.07.057)
ChEBI Ontology
Outgoing Relation(s)
Aurisin K (CHEBI:219240) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(1R,2R,3S,4S,5R,7S,12S,14S,19S,21R,22S,23S)-9,12,17-trihydroxy-3,4,6,6,20,20,22,23-octamethyl-13-oxaheptacyclo[12.9.0.02,12.04,10.05,7.016,22.019,21]tricosa-9,16-diene-8,11,15,18-tetrone
Manual XrefsDatabases
78437624ChemSpider