CHEBI:201385 - Tryptoquivaline 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 Tryptoquivaline D
ChEBI ID CHEBI:201385
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information eMolecules:534594
Download Molfile XML SDF
Formula C28H28N4O7
Net Charge 0
Average Mass 532.553
Monoisotopic Mass 532.19580
InChI InChI=1S/C28H28N4O7/c1-14(2)22(38-16(4)33)23-29-19-11-7-5-9-17(19)25(35)30(23)21-13-28(39-26(21)36)18-10-6-8-12-20(18)31-24(34)15(3)32(37)27(28)31/h5-12,14-15,21-22,27,37H,13H2,1-4H3
InChIKey HHNRKSWQUGTUBV-UHFFFAOYSA-N
SMILES O=C1N(C(=NC2=C1C=CC=C2)C(OC(=O)C)C(C)C)C3C(=O)OC4(C3)C5=C(C=CC=C5)N6C4N(O)C(C)C6=O
ChEBI Ontology
Outgoing Tryptoquivaline D (CHEBI:201385) is a α-amino acid ester (CHEBI:46874)
IUPAC Name
[1-[3-(3-hydroxy-2-methyl-1,2'-dioxospiro[2,3a-dihydroimidazo[1,2-a]indole-4,5'-oxolane]-3'-yl)-4-oxoquinazolin-2-yl]-2-methylpropyl] acetate
Manual Xref Database
287754 ChemSpider
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