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CHEBI:222710 - Spirotryprostatin F

ChEBI IDCHEBI:222710
ChEBI NameSpirotryprostatin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H25N3O6
Net Charge0
Average Mass427.457
Monoisotopic Mass427.17434
SMILESCOc1ccc2c(c1)NC(=O)[C@]21[C@H](C=C(C)C)N2C(=O)[C@@H]3CCCN3C(=O)[C@]2(O)[C@H]1O
InChIInChI=1S/C22H25N3O6/c1-11(2)9-16-21(13-7-6-12(31-3)10-14(13)23-19(21)28)18(27)22(30)20(29)24-8-4-5-15(24)17(26)25(16)22/h6-7,9-10,15-16,18,27,30H,4-5,8H2,1-3H3,(H,23,28)/t15-,16-,18-,21-,22+/m0/s1
InChIKeyNAXVRXZCCDCICG-LPMPVVGESA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) - DOI (10.1007/s10600-012-0166-8)
ChEBI Ontology
Outgoing Relation(s)
Spirotryprostatin F (CHEBI:222710) has functional parent α-amino acid (CHEBI:33704)
Spirotryprostatin F (CHEBI:222710) is a organonitrogen compound (CHEBI:35352)
Spirotryprostatin F (CHEBI:222710) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,4S,5S,6S,9S)-3,4-dihydroxy-6'-methoxy-6-(2-methylprop-1-enyl)spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione
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28289754ChemSpider