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CHEBI:226436 - Bipolarolide C

ChEBI IDCHEBI:226436
ChEBI NameBipolarolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O4
Net Charge0
Average Mass400.559
Monoisotopic Mass400.26136
SMILESCC(=CCC[C@H](C)[C@]12CC[C@]3(C)C[C@H]4[C@@]5(C(=O)C[C@]4(C)O1)C(CO)=CC[C@@]352)CO
InChIInChI=1S/C25H36O4/c1-16(14-26)6-5-7-17(2)23-11-10-21(3)12-19-22(4,29-23)13-20(28)25(19)18(15-27)8-9-24(21,23)25/h6,8,17,19,26-27H,5,7,9-15H2,1-4H3/t17-,19+,21+,22-,23-,24-,25+/m0/s1
InChIKeyDUXPASAMHPHVMU-PJYGCMIISA-N
Species of MetaboliteComponentSourceComments
Bipolaris (ncbitaxon:33194) - PubMed (31254370)
ChEBI Ontology
Outgoing Relation(s)
Bipolarolide C (CHEBI:226436) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,2R,6R,9S,10S,12R)-5-(hydroxymethyl)-1-[(2S)-7-hydroxy-6-methylhept-5-en-2-yl]-9,12-dimethyl-15-oxapentacyclo[7.5.1.02,6.02,12.06,10]pentadec-4-en-7-one