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CHEBI:208781 - Spirotryprostatin G

ChEBI IDCHEBI:208781
ChEBI NameSpirotryprostatin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H25N3O7
Net Charge0
Average Mass443.456
Monoisotopic Mass443.16925
SMILESCOc1ccc2c(c1)N[C@@]1(C2=O)[C@H](C=C(C)C)N2C(=O)[C@]3(O)CCCN3C(=O)[C@]2(O)[C@H]1O
InChIInChI=1S/C22H25N3O7/c1-11(2)9-15-21(16(26)13-6-5-12(32-3)10-14(13)23-21)17(27)22(31)19(29)24-8-4-7-20(24,30)18(28)25(15)22/h5-6,9-10,15,17,23,27,30-31H,4,7-8H2,1-3H3/t15-,17-,20+,21+,22+/m0/s1
InChIKeyVTQUYIHTIIOWPO-LYFVQSQRSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31480589)
ChEBI Ontology
Outgoing Relation(s)
Spirotryprostatin G (CHEBI:208781) has functional parent α-amino acid (CHEBI:33704)
Spirotryprostatin G (CHEBI:208781) is a organonitrogen compound (CHEBI:35352)
Spirotryprostatin G (CHEBI:208781) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,4S,5S,6S,9R)-3,4,9-trihydroxy-6'-methoxy-6-(2-methylprop-1-enyl)spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,2'-1H-indole]-2,3',8-trione
Manual XrefsDatabases
81131458ChemSpider