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CHEBI:212317 - Bipolarin D

ChEBI IDCHEBI:212317
ChEBI NameBipolarin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O5
Net Charge0
Average Mass416.558
Monoisotopic Mass416.25627
SMILESCC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@H]4[C@@H](C(=O)C[C@@]4(C)O)/C(C(=O)O)=C\C[C@H]32)O1
InChIInChI=1S/C25H36O5/c1-14(2)10-16-11-15(3)25(30-16)9-8-23(4)12-18-21(19(26)13-24(18,5)29)17(22(27)28)6-7-20(23)25/h6,10,15-16,18,20-21,29H,7-9,11-13H2,1-5H3,(H,27,28)/b17-6+/t15-,16-,18-,20+,21-,23+,24+,25-/m0/s1
InChIKeyDONIWYSZCJFKOC-QGUVULDTSA-N
Species of MetaboliteComponentSourceComments
Bipolaris (ncbitaxon:33194) - DOI (10.1016/S1875-5364(19)30116-5)
ChEBI Ontology
Outgoing Relation(s)
Bipolarin D (CHEBI:212317) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1'R,2S,3S,3'S,4'R,5R,7'R,8'E,11'R)-4'-hydroxy-1',3,4'-trimethyl-5-(2-methylprop-1-enyl)-6'-oxospiro[oxolane-2,12'-tricyclo[9.3.0.03,7]tetradec-8-ene]-8'-carboxylic acid