CHEBI:205697 - Asnovolin F

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Asnovolin F
ChEBI ID CHEBI:205697
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H40O6
Net Charge 0
Average Mass 460.611
Monoisotopic Mass 460.28249
InChI InChI=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
InChIKey CQNDORIWDISGFS-GKGPHXLPSA-N
SMILES O=C1C(=C2O[C@@]3([C@]([C@H](C(=C)C)CC[C@@H]3C)(CCC(=O)OC)C)C[C@]2(C)[C@H]([C@@H]1C(=O)OC)C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
76785330 ChemSpider
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