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CHEBI:209840 - Emerione C

ChEBI IDCHEBI:209840
ChEBI NameEmerione C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H44O6
Net Charge0
Average Mass488.665
Monoisotopic Mass488.31379
SMILESCC1=C[C@]2(C)OO[C@H]1[C@]1(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]12
InChIInChI=1S/C29H44O6/c1-14(2)19(30)17(5)21(31)27(9)20(15(3)12-26(8)24-29(11,33-24)18(6)32-26)28(10)22-16(4)13-25(7,23(27)28)35-34-22/h12-14,17-18,20-24,31H,1-11H3/b15-12+/t17-,18+,20+,21-,22+,23-,24-,25-,26-,27-,28-,29+/m0/s1
InChIKeyHBYUNGWMFHIERU-AZBFSWAWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus nidulans (ncbitaxon:162425) - PubMed (31247789)
ChEBI Ontology
Outgoing Relation(s)
Emerione C (CHEBI:209840) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1S,2R)-1-hydroxy-2,4-dimethyl-1-[(1S,2S,3R,4R,5R,6R)-1,3,5,10-tetramethyl-4-[(E)-1-[(1S,2S,4R,5R)-2,4,5-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]prop-1-en-2-yl]-7,8-dioxatricyclo[4.2.2.02,5]dec-9-en-3-yl]pentan-3-one