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CHEBI:227294 - Agrocybone

ChEBI IDCHEBI:227294
ChEBI NameAgrocybone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H36O5
Net Charge0
Average Mass476.613
Monoisotopic Mass476.25627
SMILESCC1=C2C[C@@](C)(CO)C[C@@]23O[C@@H]2O[C@@]4(C)C5=C(CC[C@@](C3=O)([C@@H]52)C12CC2)C(=O)C1=CC(C)(C)C[C@H]14
InChIInChI=1S/C30H36O5/c1-15-18-12-26(4,14-31)13-30(18)24(33)29(28(15)8-9-28)7-6-16-20-21(29)23(35-30)34-27(20,5)19-11-25(2,3)10-17(19)22(16)32/h10,19,21,23,31H,6-9,11-14H2,1-5H3/t19-,21+,23+,26-,27-,29+,30-/m1/s1
InChIKeyAHANYUXVBOKBMV-MLHZPMGASA-N
Species of MetaboliteComponentSourceComments
Agrocybe salicacicola (ncbitaxon:1078488) - DOI (10.1016/j.tetlet.2010.04.128)
ChEBI Ontology
Outgoing Relation(s)
Agrocybone (CHEBI:227294) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,3S,4R,6R,7R,16R,21R)-21-(hydroxymethyl)-6,9,9,18,21-pentamethylspiro[2,24-dioxaheptacyclo[14.6.1.13,6.01,19.04,16.05,13.07,11]tetracosa-5(13),10,18-triene-17,1'-cyclopropane]-12,23-dione
Manual XrefsDatabases
78441251ChemSpider