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CHEBI:205677 - Asnovolin B

ChEBI IDCHEBI:205677
ChEBI NameAsnovolin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38O7
Net Charge0
Average Mass462.583
Monoisotopic Mass462.26175
SMILESCOC(=O)[C@@H]1C(=O)C(C)=C2O[C@@]3(C[C@]2(CO)[C@H]1C)[C@@H](C)CC[C@H]1C(C)(C)OC(=O)CC[C@@]13C
InChIInChI=1S/C26H38O7/c1-14-8-9-17-23(4,5)32-18(28)10-11-24(17,6)26(14)12-25(13-27)16(3)19(22(30)31-7)20(29)15(2)21(25)33-26/h14,16-17,19,27H,8-13H2,1-7H3/t14-,16-,17-,19-,24-,25-,26-/m0/s1
InChIKeyGDSAWNDENBBNKP-LXVSYIIXSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (27626956)
ChEBI Ontology
Outgoing Relation(s)
Asnovolin B (CHEBI:205677) is a benzofurans (CHEBI:35259)
IUPAC Name 
methyl (3'aR,4'S,5'S,5aS,6S,7S,9aR)-3'a-(hydroxymethyl)-1,1,4',5a,7,7'-hexamethyl-3,6'-dioxospiro[4,5,7,8,9,9a-hexahydrobenzo[c]oxepine-6,2'-4,5-dihydro-3H-1-benzouran]-5'-carboxylate
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78438901ChemSpider