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CHEBI:205697 - Asnovolin F

ChEBI IDCHEBI:205697
ChEBI NameAsnovolin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O6
Net Charge0
Average Mass460.611
Monoisotopic Mass460.28249
SMILESC=C(C)[C@@H]1CC[C@H](C)[C@@]2(C[C@@]3(C)C(=C(C)C(=O)[C@@H](C(=O)OC)[C@@H]3C)O2)[C@@]1(C)CCC(=O)OC
InChIInChI=1S/C27H40O6/c1-15(2)19-11-10-16(3)27(26(19,7)13-12-20(28)31-8)14-25(6)18(5)21(24(30)32-9)22(29)17(4)23(25)33-27/h16,18-19,21H,1,10-14H2,2-9H3/t16-,18-,19-,21-,25+,26-,27-/m0/s1
InChIKeyCQNDORIWDISGFS-GKGPHXLPSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (27626956)
ChEBI Ontology
Outgoing Relation(s)
Asnovolin F (CHEBI:205697) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
methyl (1'S,2S,3'S,3aR,4S,5S,6'S)-1'-(3-methoxy-3-oxopropyl)-1',3',3a,4,7-pentamethyl-6-oxo-6'-prop-1-en-2-ylspiro[4,5-dihydro-3H-1-benzouran-2,2'-cyclohexane]-5-carboxylate
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76785330ChemSpider