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CHEBI:202565 - BE-31405

ChEBI IDCHEBI:202565
ChEBI NameBE-31405
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36O10
Net Charge0
Average Mass532.586
Monoisotopic Mass532.23085
SMILESCC(=O)O[C@@H]1[C@@H]2O[C@@]3(OC[C@@]45C[C@@H]6[C@H](C)CC[C@H]6[C@@]6(C=O)C[C@@H]4C=C(C(C)C)[C@@]56C(=O)O)O[C@@H]2O[C@@H]1[C@@H]3O
InChIInChI=1S/C28H36O10/c1-12(2)18-7-15-8-25(10-29)17-6-5-13(3)16(17)9-26(15,27(18,25)24(32)33)11-34-28-22(31)20-19(35-14(4)30)21(37-28)23(36-20)38-28/h7,10,12-13,15-17,19-23,31H,5-6,8-9,11H2,1-4H3,(H,32,33)/t13-,15+,16-,17-,19+,20+,21+,22+,23+,25+,26+,27+,28-/m1/s1
InChIKeyULHRLJDDVCQHQE-NDVSFKDBSA-N
Species of MetaboliteComponentSourceComments
Talaromyces minioluteus (ncbitaxon:28574) - PubMed (10048566)
ChEBI Ontology
Outgoing Relation(s)
BE-31405 (CHEBI:202565) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,2S,4R,5R,8R,9S,11R)-2-[[(1R,3S,5R,7S,8S,9S)-8-acetyloxy-9-hydroxy-2,4,6-trioxatricyclo[3.3.1.03,7]nonan-5-yl]oxymethyl]-9-ormyl-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid
Manual XrefsDatabases
78436890ChemSpider