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CHEBI:218897 - Petromindole

ChEBI IDCHEBI:218897
ChEBI NamePetromindole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39NO
Net Charge0
Average Mass405.626
Monoisotopic Mass405.30316
SMILESCC1(C)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@@]4(C)c5cccc6ncc(c56)C[C@@H]4[C@@]3(C)CC[C@H]12
InChIInChI=1S/C28H39NO/c1-25(2)20-9-13-28(5)21(27(20,4)14-11-23(25)30)10-12-26(3)18-7-6-8-19-24(18)17(16-29-19)15-22(26)28/h6-8,16,20-23,29-30H,9-15H2,1-5H3/t20-,21+,22+,23-,26+,27-,28+/m1/s1
InChIKeyDRNNQNUPQAJBQZ-DIADYQGESA-N
Species of MetaboliteComponentSourceComments
Aspergillus muricatus (ncbitaxon:469875) - DOI (10.1248/cpb.45.1694)
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
Petromindole (CHEBI:218897) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(2R,5R,6S,9R,11S,14S,15R)-2,6,10,10,14-pentamethyl-19-azahexacyclo[15.6.1.02,15.05,14.06,11.020,24]tetracosa-1(24),17,20,22-tetraen-9-ol
Manual XrefsDatabases
154472ChemSpider