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CHEBI:207976 - Altercrasin E

ChEBI IDCHEBI:207976
ChEBI NameAltercrasin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H31NO4
Net Charge0
Average Mass397.515
Monoisotopic Mass397.22531
SMILESCC=C[C@@H]1C=C2C=C[C@@H]3C[C@H](C)CC[C@H]3[C@]2(C)C(=O)[C@]12C(=O)N[C@H]([C@@H](C)O)C2=O
InChIInChI=1S/C24H31NO4/c1-5-6-17-12-16-9-8-15-11-13(2)7-10-18(15)23(16,4)21(28)24(17)20(27)19(14(3)26)25-22(24)29/h5-6,8-9,12-15,17-19,26H,7,10-11H2,1-4H3,(H,25,29)/t13-,14-,15-,17-,18-,19-,23-,24+/m1/s1
InChIKeyLYRFDYFCOSNCHT-QEUWRZLDSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - PubMed (30978906)
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)
Altercrasin E (CHEBI:207976) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(2R,3R,4aS,4bR,5'R,7R,8aS)-5'-[(1R)-1-hydroxyethyl]-4a,7-dimethyl-2-prop-1-enylspiro[4b,5,6,7,8,8a-hexahydro-2H-phenanthrene-3,3'-pyrrolidine]-2',4,4'-trione