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CHEBI:212306 - Bipolarin B

ChEBI IDCHEBI:212306
ChEBI NameBipolarin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36O5
Net Charge0
Average Mass428.569
Monoisotopic Mass428.25627
SMILESCC1=CC(=O)[C@H]2/C(CO)=C\C[C@@H]3[C@](C)(CC[C@@]34O[C@@H](/C=C(\C)CC(=O)O)C[C@@H]4C)C[C@H]12
InChIInChI=1S/C26H36O5/c1-15(10-23(29)30)9-19-12-17(3)26(31-19)8-7-25(4)13-20-16(2)11-21(28)24(20)18(14-27)5-6-22(25)26/h5,9,11,17,19-20,22,24,27H,6-8,10,12-14H2,1-4H3,(H,29,30)/b15-9+,18-5-/t17-,19-,20+,22+,24-,25+,26-/m0/s1
InChIKeyNXTLOBRANFEMDQ-DGKDYZSTSA-N
Species of MetaboliteComponentSourceComments
Bipolaris (ncbitaxon:33194) - DOI (10.1016/S1875-5364(19)30116-5)
ChEBI Ontology
Outgoing Relation(s)
Bipolarin B (CHEBI:212306) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(E)-4-[(1'R,2R,3'S,4S,5S,7'R,8'E,11'R)-8'-(hydroxymethyl)-1',4,4'-trimethyl-6'-oxospiro[oxolane-5,12'-tricyclo[9.3.0.03,7]tetradeca-4,8-diene]-2-yl]-3-methylbut-3-enoic acid