CHEBI:222552 - 8-chlororugulovasine A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 8-chlororugulovasine A
ChEBI ID CHEBI:222552
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C16H15ClN2O2
Net Charge 0
Average Mass 302.760
Monoisotopic Mass 302.08221
InChI InChI=1S/C16H15ClN2O2/c1-8-6-16(21-15(8)20)10-3-4-11(17)14-13(10)9(7-19-14)5-12(16)18-2/h3-4,6-7,12,18-19H,5H2,1-2H3/t12-,16+/m0/s1
InChIKey SDYOUVJWVNBXPX-BLLLJJGKSA-N
SMILES ClC1=C2NC=C3C2=C([C@@]4(OC(=O)C(=C4)C)[C@@H](NC)C3)C=C1
Metabolite of Species Details
Talaromyces islandicus (NCBI:txid28573) See: DOI
ChEBI Ontology
Outgoing 8-chlororugulovasine A (CHEBI:222552) is a indoles (CHEBI:24828)
IUPAC Name
(4S,5R)-8-chloro-3'-methyl-4-(methylamino)spiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-uran]-2'-one
Manual Xref Database
21269944 ChemSpider
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