CHEBI:220342 - Isochaetoglobosin Db

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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 Isochaetoglobosin Db
ChEBI ID CHEBI:220342
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H35N3O3
Net Charge 0
Average Mass 509.650
Monoisotopic Mass 509.26784
InChI InChI=1S/C32H35N3O3/c1-17-8-7-10-24-30(37)20(4)19(3)28-27(13-21-14-34-26-11-6-5-9-22(21)26)35-31(38)32(24,28)25-16-33-15-23(25)29(36)18(2)12-17/h5-7,9-12,14-17,19,24,27-28,30,33-34,37H,4,8,13H2,1-3H3,(H,35,38)/b10-7+,18-12+/t17-,19+,24-,27-,28-,30+,32?/m0/s1
InChIKey NOBIZBQJWCRXQZ-BKYIMLKESA-N
SMILES O=C1C(=C[C@H](CC=C[C@@H]2C3(C=4C1=CNC4)C(=O)N[C@H]([C@@H]3[C@H](C)C([C@H]2O)=C)CC=5C6=C(C=CC=C6)NC5)C)C
Metabolite of Species Details
Chaetomium (NCBI:txid5149) See: PubMed
ChEBI Ontology
Outgoing Isochaetoglobosin Db (CHEBI:220342) is a indoles (CHEBI:24828)
IUPAC Name
(8E,10S,12E,14R,15S,17S,18R,19S)-15-hydroxy-19-(1H-indol-3-ylmethyl)-8,10,17-trimethyl-16-methylidene-4,20-diazatetracyclo[12.7.0.01,18.02,6]henicosa-2,5,8,12-tetraene-7,21-dione
Manual Xref Database
78441854 ChemSpider
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