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CHEBI:209829 - Emerione A

ChEBI IDCHEBI:209829
ChEBI NameEmerione A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H44O5
Net Charge0
Average Mass472.666
Monoisotopic Mass472.31887
SMILESCC1=C[C@@]2(C)[C@@H](/C(C)=C/[C@]3(C)O[C@H](C)[C@@]4(C)O[C@H]43)[C@](C)([C@@H](O)[C@@H](C)C(=O)C(C)C)[C@H]2[C@]2(C)O[C@H]12
InChIInChI=1S/C29H44O5/c1-14(2)19(30)17(5)21(31)27(9)20(25(7)12-16(4)22-29(11,33-22)23(25)27)15(3)13-26(8)24-28(10,34-24)18(6)32-26/h12-14,17-18,20-24,31H,1-11H3/b15-13+/t17-,18+,20+,21-,22+,23-,24-,25-,26-,27+,28+,29+/m0/s1
InChIKeyRNAHYXBPBZSDMH-CABZIAIVSA-N
Species of MetaboliteComponentSourceComments
Aspergillus nidulans (ncbitaxon:162425) - PubMed (31247789)
ChEBI Ontology
Outgoing Relation(s)
Emerione A (CHEBI:209829) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1S,2R)-1-hydroxy-2,4-dimethyl-1-[(1S,2S,4R,7S,8R,9S)-2,5,7,9-tetramethyl-8-[(E)-1-[(1S,2S,4R,5R)-2,4,5-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]prop-1-en-2-yl]-3-oxatricyclo[5.2.0.02,4]non-5-en-9-yl]pentan-3-one