EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:216665 - Aureochaeglobosin D

ChEBI IDCHEBI:216665
ChEBI NameAureochaeglobosin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H56N2O7
Net Charge0
Average Mass748.961
Monoisotopic Mass748.40875
SMILESC/C=C/C=C/[C@@H]1CO[C@H]([C@@H]2C=CC[C@@H]3CC(=O)[C@@]45C(=O)N[C@@H](Cc6cnc7ccccc67)[C@@H]4[C@H](C)[C@@]4(C)O[C@H]4[C@@H]5/C=C/C[C@H](C)/C=C(\C)C(=O)[C@@H](O)C32)[C@H]1O
InChIInChI=1S/C46H56N2O7/c1-6-7-8-14-29-24-54-42(40(29)51)32-17-12-15-28-22-36(49)46-33(18-11-13-25(2)20-26(3)39(50)41(52)37(28)32)43-45(5,55-43)27(4)38(46)35(48-44(46)53)21-30-23-47-34-19-10-9-16-31(30)34/h6-12,14,16-20,23,25,27-29,32-33,35,37-38,40-43,47,51-52H,13,15,21-22,24H2,1-5H3,(H,48,53)/b7-6+,14-8+,18-11+,26-20+/t25-,27-,28+,29+,32+,33-,35-,37?,38-,40-,41-,42+,43-,45+,46+/m0/s1
InChIKeyPBXUPIFGIAWJPN-JJHFZCDZSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - DOI (10.1016/j.tetlet.2020.151838)
ChEBI Ontology
Outgoing Relation(s)
Aureochaeglobosin D (CHEBI:216665) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1R,4R,8R,10S,12E,14S,16E,18R,19S,21R,22S,23R,24S)-10-hydroxy-8-[(2R,3S,4R)-3-hydroxy-4-[(1E,3E)-penta-1,3-dienyl]oxolan-2-yl]-24-(1H-indol-3-ylmethyl)-12,14,21,22-tetramethyl-20-oxa-25-azapentacyclo[16.8.0.01,23.04,9.019,21]hexacosa-6,12,16-triene-2,11,26-trione