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CHEBI:225435 - Sordaricin B

ChEBI IDCHEBI:225435
ChEBI NameSordaricin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O5
Net Charge0
Average Mass348.439
Monoisotopic Mass348.19367
SMILESCC(C)C1=C[C@H]2C[C@]3(C(=O)O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO)[C@]13C(=O)O
InChIInChI=1S/C20H28O5/c1-10(2)15-6-12-7-19(16(22)23)14-5-4-11(3)13(14)8-18(12,9-21)20(15,19)17(24)25/h6,10-14,21H,4-5,7-9H2,1-3H3,(H,22,23)(H,24,25)/t11-,12+,13-,14-,18+,19-,20-/m1/s1
InChIKeyJDHBTAMRRVLZRQ-IKASBTCNSA-N
Species of MetaboliteComponentSourceComments
Curvularia (ncbitaxon:5502) - PubMed (31478377)
ChEBI Ontology
Outgoing Relation(s)
Sordaricin B (CHEBI:225435) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,2S,4R,5R,8R,9S,11R)-2-(hydroxymethyl)-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1,9-dicarboxylic acid
Manual XrefsDatabases
81360762ChemSpider