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CHEBI:225582 - ICM0301 B

ChEBI IDCHEBI:225582
ChEBI NameICM0301 B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H32O3
Net Charge0
Average Mass356.506
Monoisotopic Mass356.23514
SMILESC/C=C(\C)[C@H]1[C@@H](/C=C/C=C(\C)C(C)=O)[C@@H]2C[C@@H]3O[C@]3(C)C[C@H]2[C@@H]2O[C@@]21C
InChIInChI=1S/C23H32O3/c1-7-13(2)20-16(10-8-9-14(3)15(4)24)17-11-19-22(5,25-19)12-18(17)21-23(20,6)26-21/h7-10,16-21H,11-12H2,1-6H3/b10-8+,13-7+,14-9+/t16-,17-,18+,19-,20-,21-,22+,23+/m0/s1
InChIKeyNGQCCEAFBSISCH-QJFDWQNZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (15112957)
ChEBI Ontology
Outgoing Relation(s)
ICM0301 B (CHEBI:225582) is a oxacycle (CHEBI:38104)
IUPAC Name 
(3E,5E)-6-[(1R,2S,4R,5R,6S,7S,9S,11R)-5-[(E)-but-2-en-2-yl]-4,11-dimethyl-3,10-dioxatetracyclo[5.5.0.02,4.09,11]dodecan-6-yl]-3-methylhexa-3,5-dien-2-one
Manual XrefsDatabases
8581436ChemSpider