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CHEBI:199768 - Acremolactone A

ChEBI IDCHEBI:199768
ChEBI NameAcremolactone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O8
Net Charge0
Average Mass474.550
Monoisotopic Mass474.22537
SMILESCCC/C=C(\C)[C@@H](O)[C@H]1C(=O)O[C@@]2(C)[C@@H]1C1=CO[C@]3([C@]45OC4(C)CC=C[C@@H]5O)O[C@@H]3[C@@H]1C[C@@H]2O
InChIInChI=1S/C26H34O8/c1-5-6-8-13(2)20(29)18-19-15-12-31-26(25-16(27)9-7-10-23(25,3)34-25)21(32-26)14(15)11-17(28)24(19,4)33-22(18)30/h7-9,12,14,16-21,27-29H,5-6,10-11H2,1-4H3/b13-8+/t14-,16+,17+,18+,19-,20-,21-,23?,24-,25-,26+/m1/s1
InChIKeyAIDBYRCMBCUHKZ-SYTRTIRYSA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - PubMed (9917013)
ChEBI Ontology
Outgoing Relation(s)
Acremolactone A (CHEBI:199768) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(2S,3S,6S,7S,9R,10R,12R)-7-hydroxy-3-[(E,1S)-1-hydroxy-2-methylhex-2-enyl]-12-[(1R,2S)-2-hydroxy-6-methyl-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-6-methyl-5,11,13-trioxatetracyclo[7.5.0.02,6.010,12]tetradec-1(14)-en-4-one
Manual XrefsDatabases
78436539ChemSpider