CHEBI:222710 - Spirotryprostatin F

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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 F
ChEBI ID CHEBI:222710
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H25N3O6
Net Charge 0
Average Mass 427.457
Monoisotopic Mass 427.17434
InChI InChI=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
InChIKey NAXVRXZCCDCICG-LPMPVVGESA-N
SMILES O=C1N2[C@H](C(=O)N3[C@@]1(O)[C@@H](O)[C@@]4(C(=O)NC5=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 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
Manual Xref Database
28289754 ChemSpider
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