CHEBI:206335 - Spirotryprostatin C

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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 Spirotryprostatin C
ChEBI ID CHEBI:206335
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C27H33N3O6
Net Charge 0
Average Mass 495.576
Monoisotopic Mass 495.23694
InChI InChI=1S/C27H33N3O6/c1-15(2)10-12-29-20-14-17(36-5)8-9-18(20)26(24(29)33)21(13-16(3)4)30-22(31)19-7-6-11-28(19)25(34)27(30,35)23(26)32/h8-10,13-14,19,21,23,32,35H,6-7,11-12H2,1-5H3/t19-,21-,23-,26-,27+/m0/s1
InChIKey YPSDDVCGIHETLQ-AMOYZJMOSA-N
SMILES O=C1N2[C@H](C(=O)N3[C@@]1(O)[C@@H](O)[C@@]4(C(=O)N(CC=C(C)C)C5=C4C=CC(=C5)OC)[C@@H]3C=C(C)C)CCC2
Metabolite of Species Details
Aspergillus fumigatus (NCBI:txid746128) See: DOI
ChEBI Ontology
Outgoing Spirotryprostatin C (CHEBI:206335) has functional parent α-amino acid (CHEBI:33704)
Spirotryprostatin C (CHEBI:206335) is a organonitrogen compound (CHEBI:35352)
Spirotryprostatin C (CHEBI:206335) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3R,4S,5S,6S,9S)-3,4-dihydroxy-6'-methoxy-1'-(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-indole]-2,2',8-trione
Manual Xref Database
27023455 ChemSpider
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