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CHEBI:212301 - Bipolarin A

ChEBI IDCHEBI:212301
ChEBI NameBipolarin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O5
Net Charge0
Average Mass414.542
Monoisotopic Mass414.24062
SMILESCC1=CC(=O)/C2=C(\CO)C(=O)C[C@@H]3[C@](C)(CC[C@@]34O[C@@H](/C=C(\C)CO)C[C@@H]4C)C[C@H]12
InChIInChI=1S/C25H34O5/c1-14(12-26)7-17-9-16(3)25(30-17)6-5-24(4)11-18-15(2)8-21(29)23(18)19(13-27)20(28)10-22(24)25/h7-8,16-18,22,26-27H,5-6,9-13H2,1-4H3/b14-7+,23-19+/t16-,17-,18+,22+,24+,25-/m0/s1
InChIKeyHIFNPSVUTKZGLU-NRGIPFJQSA-N
Species of MetaboliteComponentSourceComments
Bipolaris (ncbitaxon:33194) - DOI (10.1016/S1875-5364(19)30116-5)
ChEBI Ontology
Outgoing Relation(s)
Bipolarin A (CHEBI:212301) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1'R,2S,3S,3'R,5R,7'E,11'R)-8'-(hydroxymethyl)-5-[(E)-3-hydroxy-2-methylprop-1-enyl]-1',3,4'-trimethylspiro[oxolane-2,12'-tricyclo[9.3.0.03,7]tetradeca-4,7-diene]-6',9'-dione