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CHEBI:213663 - Brevione E

ChEBI IDCHEBI:213663
ChEBI NameBrevione E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H34O7
Net Charge0
Average Mass482.573
Monoisotopic Mass482.23045
SMILESCC(=O)O[C@H]1O[C@H]2CC(=O)C(C)=C(C)O[C@@]23C(C)=C[C@@H]2O[C@@H]4CC(=O)C=C(C)[C@H]5CC[C@]13[C@@H]2[C@@]54C
InChIInChI=1S/C28H34O7/c1-13-9-18(30)11-22-26(6)19(13)7-8-27-24(26)21(33-22)10-14(2)28(27)23(34-25(27)32-17(5)29)12-20(31)15(3)16(4)35-28/h9-10,19,21-25H,7-8,11-12H2,1-6H3/t19-,21+,22-,23+,24+,25+,26+,27+,28+/m1/s1
InChIKeyMPBWVNYITUYHFY-VKIAQROPSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (11149849)
ChEBI Ontology
Outgoing Relation(s)
Brevione E (CHEBI:213663) is a monosaccharide (CHEBI:35381)
IUPAC Name 
[(1S,4R,10S,12R,13R,16R,21R,22R,23S)-3,6,7,17,22-pentamethyl-8,19-dioxo-5,11,24-trioxahexacyclo[19.2.1.04,10.04,13.013,23.016,22]tetracosa-2,6,17-trien-12-yl] acetate
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78436213ChemSpider