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CHEBI:198543 - Oblongolide B

ChEBI IDCHEBI:198543
ChEBI NameOblongolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O4
Net Charge0
Average Mass252.310
Monoisotopic Mass252.13616
SMILESC[C@@]1(O)CC[C@H]2[C@@H](C=C[C@]3(O)COC(=O)[C@]23C)C1
InChIInChI=1S/C14H20O4/c1-12(16)5-4-10-9(7-12)3-6-14(17)8-18-11(15)13(10,14)2/h3,6,9-10,16-17H,4-5,7-8H2,1-2H3/t9-,10-,12+,13-,14-/m0/s1
InChIKeyIBIXFRQYQNTJTG-ZMQVJYHMSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies (ncbitaxon:1715245) - DOI (10.1002/ejoc.200500290)
ChEBI Ontology
Outgoing Relation(s)
Oblongolide B (CHEBI:198543) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(3aR,5aR,7R,9aS,9bR)-3a,7-dihydroxy-7,9b-dimethyl-3,5a,6,8,9,9a-hexahydrobenzo[g][2]benzouran-1-one
Manual XrefsDatabases
9804963ChemSpider