CHEBI:224683 - Spirotryprostatin D

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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 D
ChEBI ID CHEBI:224683
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H33N3O7
Net Charge 0
Average Mass 511.575
Monoisotopic Mass 511.23185
InChI InChI=1S/C27H33N3O7/c1-15(2)9-12-28-19-14-17(37-5)7-8-18(19)26(23(28)33)20(13-16(3)4)30-22(32)25(35)10-6-11-29(25)24(34)27(30,36)21(26)31/h7-9,13-14,20-21,31,35-36H,6,10-12H2,1-5H3/t20-,21-,25+,26-,27+/m0/s1
InChIKey SRMXTHVXRZJIAQ-UCHDDLIBSA-N
SMILES O=C1N2[C@](O)(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 D (CHEBI:224683) has functional parent α-amino acid (CHEBI:33704)
Spirotryprostatin D (CHEBI:224683) is a organonitrogen compound (CHEBI:35352)
Spirotryprostatin D (CHEBI:224683) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3R,4S,5S,6S,9R)-3,4,9-trihydroxy-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
27023456 ChemSpider
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