CHEBI:205961 - Naseseazine 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 Naseseazine A
ChEBI ID CHEBI:205961
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H30N6O4
Net Charge 0
Average Mass 538.608
Monoisotopic Mass 538.23285
InChI InChI=1S/C30H30N6O4/c1-15-27(39)36-24(26(38)32-15)13-30(19-5-2-3-6-20(19)34-29(30)36)17-8-9-18-16(14-31-21(18)12-17)11-22-28(40)35-10-4-7-23(35)25(37)33-22/h2-3,5-6,8-9,12,14-15,22-24,29,31,34H,4,7,10-11,13H2,1H3,(H,32,38)(H,33,37)/t15-,22-,23-,24-,29+,30-/m1/s1
InChIKey HHZBEUGFDCLKRI-AMVQDXOVSA-N
SMILES O=C1N2[C@@H](C(=O)N[C@@H]1CC=3C4=C(C=C([C@]56C7=C(C=CC=C7)N[C@H]5N8C(=O)[C@@H](C)NC([C@H]8C6)=O)C=C4)NC3)CCC2
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Naseseazine A (CHEBI:205961) is a pyrroloindole (CHEBI:48133)
IUPAC Name
(1S,4R,7R,9R)-9-[3-[[(3R,8aR)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1H-indol-6-yl]-4-methyl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Manual Xref Database
27024243 ChemSpider
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