CHEBI:205283 - 13-oxoverruculogen

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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 13-oxoverruculogen
ChEBI ID CHEBI:205283
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H31N3O7
Net Charge 0
Average Mass 509.559
Monoisotopic Mass 509.21620
InChI InChI=1S/C27H31N3O7/c1-14(2)11-20-29-18-12-15(35-5)8-9-16(18)21-22(29)19(13-26(3,4)37-36-20)30-24(32)17-7-6-10-28(17)25(33)27(30,34)23(21)31/h8-9,11-12,17,19-20,34H,6-7,10,13H2,1-5H3/t17-,19-,20+,27+/m0/s1
InChIKey UZFGSEBLPZQQGI-WUBMGLGTSA-N
SMILES O=C1N2[C@H](C(=O)N3[C@@]1(O)C(=O)C=4C5=C(C=C(OC)C=C5)N6C4[C@@H]3CC(OO[C@@H]6C=C(C)C)(C)C)CCC2
Metabolite of Species Details
Aspergillus fumigatus (NCBI:txid746128) See: DOI
ChEBI Ontology
Outgoing 13-oxoverruculogen (CHEBI:205283) is a β-carbolines (CHEBI:60834)
IUPAC Name
(9R,14S,17S,23R)-23-hydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22,24-trione
Manual Xref Database
27023460 ChemSpider
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