CHEBI:225798 - Teraspiridole C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Teraspiridole C
ChEBI ID CHEBI:225798
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H44N2O6
Net Charge 0
Average Mass 564.723
Monoisotopic Mass 564.31994
InChI InChI=1S/C33H44N2O6/c1-18-27(38)35-21-11-9-8-10-20(21)33(28(35)34-18)17-24-31(6,41-33)15-12-22-30(5)14-13-26(37)40-29(3,4)23(30)16-25(32(22,24)7)39-19(2)36/h8-11,18,22-25,28,34H,12-17H2,1-7H3/t18-,22+,23-,24+,25-,28-,30+,31-,32+,33-/m0/s1
InChIKey ZLBRGMMCUDDXLB-CPUMHDPCSA-N
SMILES O=C1OC([C@@H]2C[C@H](OC(=O)C)[C@@]3([C@@H]([C@]2(CC1)C)CC[C@]4([C@H]3C[C@@]5(C6=C(C=CC=C6)N7[C@@H]5N[C@@H](C)C7=O)O4)C)C)(C)C
Metabolite of Species Details
Aspergillus terreus (NCBI:txid33178) See: PubMed
ChEBI Ontology
Outgoing Teraspiridole C (CHEBI:225798) is a naphthofuran (CHEBI:39270)
IUPAC Name
[(1'R,2S,2'R,3aS,4S,8'R,10'S,11'R,12'S,16'S)-2,2',7',7',11',16'-hexamethyl-1,5'-dioxospiro[3,3a-dihydro-2H-imidazo[1,2-a]indole-4,14'-6,15-dioxatetracyclo[9.7.0.02,8.012,16]octadecane]-10'-yl] acetate
Manual Xref Database
78440317 ChemSpider
View more database links