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CHEBI:225619 - Bipolaricin C

ChEBI IDCHEBI:225619
ChEBI NameBipolaricin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O4
Net Charge0
Average Mass398.543
Monoisotopic Mass398.24571
SMILESCC1=CC(=O)[C@H]2/C(C=O)=C\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/C25H34O4/c1-15(13-26)9-19-11-17(3)25(29-19)8-7-24(4)12-20-16(2)10-21(28)23(20)18(14-27)5-6-22(24)25/h5,9-10,14,17,19-20,22-23,26H,6-8,11-13H2,1-4H3/b15-9+,18-5-/t17-,19-,20+,22+,23-,24+,25-/m0/s1
InChIKeyIXOCIELJWNTVCH-GGMZOALJSA-N
Species of MetaboliteComponentSourceComments
Bipolaris (ncbitaxon:33194) - PubMed (31573805)
ChEBI Ontology
Outgoing Relation(s)
Bipolaricin C (CHEBI:225619) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1'R,2S,3S,3'S,5R,7'R,8'E,11'R)-5-[(E)-3-hydroxy-2-methylprop-1-enyl]-1',3,4'-trimethyl-6'-oxospiro[oxolane-2,12'-tricyclo[9.3.0.03,7]tetradeca-4,8-diene]-8'-carbaldehyde
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128437687ChemSpider