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CHEBI:226441 - Bipolarolide D

ChEBI IDCHEBI:226441
ChEBI NameBipolarolide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O3
Net Charge0
Average Mass382.544
Monoisotopic Mass382.25079
SMILESCC(=CCC[C@H](C)C1=CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@@]34C(CO)=CC[C@@]124)CO
InChIInChI=1S/C25H34O3/c1-16(14-26)6-5-7-17(2)20-9-10-23(4)13-21-18(3)12-22(28)25(21)19(15-27)8-11-24(20,23)25/h6,8-9,12,17,21,26-27H,5,7,10-11,13-15H2,1-4H3/t17-,21+,23+,24+,25+/m0/s1
InChIKeyYSOIQLPFZKORKR-AFTPNCDOSA-N
Species of MetaboliteComponentSourceComments
Bipolaris (ncbitaxon:33194) - PubMed (31254370)
ChEBI Ontology
Outgoing Relation(s)
Bipolarolide D (CHEBI:226441) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1S,5S,9R,11R)-4-(hydroxymethyl)-14-[(2S)-7-hydroxy-6-methylhept-5-en-2-yl]-8,11-dimethyltetracyclo[9.3.0.01,5.05,9]tetradeca-3,7,13-trien-6-one