EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:226446 - Bipolarolide E

ChEBI IDCHEBI:226446
ChEBI NameBipolarolide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H41NO7
Net Charge0
Average Mass491.625
Monoisotopic Mass491.28830
SMILESCC(=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@H]4[C@]5(OC[C@@]4(C)O)C(=O)N(CCO)C(=O)[C@@H]5CC[C@H]32)O1)CO
InChIInChI=1S/C27H41NO7/c1-16(14-30)11-18-12-17(2)26(35-18)8-7-24(3)13-21-25(4,33)15-34-27(21)19(5-6-20(24)26)22(31)28(9-10-29)23(27)32/h11,17-21,29-30,33H,5-10,12-15H2,1-4H3/t17-,18-,19-,20+,21+,24+,25+,26-,27-/m0/s1
InChIKeyNXLXVGIDBVMWFG-HNXIQDBZSA-N
Species of MetaboliteComponentSourceComments
Bipolaris (ncbitaxon:33194) - PubMed (31254370)
ChEBI Ontology
Outgoing Relation(s)
Bipolarolide E (CHEBI:226446) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,3'S,4S,5R,5'R,7R,10S,11R,14R)-4-hydroxy-16-(2-hydroxyethyl)-5'-(3-hydroxy-2-methylprop-1-enyl)-3',4,7-trimethylspiro[2-oxa-16-azatetracyclo[12.3.0.01,5.07,11]heptadecane-10,2'-oxolane]-15,17-dione