CHEBI:207976 - Altercrasin E

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ChEBI Name Altercrasin E
ChEBI ID CHEBI:207976
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C24H31NO4
Net Charge 0
Average Mass 397.515
Monoisotopic Mass 397.22531
InChI InChI=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
InChIKey LYRFDYFCOSNCHT-QEUWRZLDSA-N
SMILES O=C1[C@@]2(C(C=C[C@H]3[C@H]2CC[C@H](C3)C)=C[C@H]([C@@]14C(=O)N[C@@H](C4=O)[C@H](O)C)C=CC)C
Metabolite of Species Details
Alternaria (NCBI:txid5598) See: PubMed
Roles Classification
Biological Role(s): 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.
(via phenanthrenes )
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ChEBI Ontology
Outgoing 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