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CHEBI:226549 - [(5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzouran-5-yl] (2E,4E,6E)-octa-2,4,6-trienoate

ChEBI IDCHEBI:226549
ChEBI Name[(5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzouran-5-yl] (2E,4E,6E)-octa-2,4,6-trienoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H32O4
Net Charge0
Average Mass372.505
Monoisotopic Mass372.23006
SMILESC/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2COC[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12
InChIInChI=1S/C23H32O4/c1-5-6-7-8-9-11-19(24)27-18-14-17-15-26-16-23(17,25)22(4)13-10-12-21(2,3)20(18)22/h5-9,11,14,18,20,25H,10,12-13,15-16H2,1-4H3/b6-5+,8-7+,11-9+/t18-,20+,22+,23-/m1/s1
InChIKeyNBSRXDQGLXGTEV-MOHQOPMHSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (8698631)
ChEBI Ontology
Outgoing Relation(s)
[(5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzouran-5-yl] (2E,4E,6E)-octa-2,4,6-trienoate (CHEBI:226549) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzouran-5-yl] (2E,4E,6E)-octa-2,4,6-trienoate
Manual XrefsDatabases
8424208ChemSpider