EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:220769 - Yamchaetoglobosin A

ChEBI IDCHEBI:220769
ChEBI NameYamchaetoglobosin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40N2O6
Net Charge0
Average Mass560.691
Monoisotopic Mass560.28864
SMILESC=C1[C@@H](C)[C@H]2[C@H](Cc3cnc4ccccc34)NC(=O)[C@@]2(C(=O)CCC(=O)OC)[C@@H](/C=C/C[C@H](C)/C=C(\C)C=O)[C@@H]1O
InChIInChI=1S/C33H40N2O6/c1-19(15-20(2)18-36)9-8-11-25-31(39)22(4)21(3)30-27(16-23-17-34-26-12-7-6-10-24(23)26)35-32(40)33(25,30)28(37)13-14-29(38)41-5/h6-8,10-12,15,17-19,21,25,27,30-31,34,39H,4,9,13-14,16H2,1-3,5H3,(H,35,40)/b11-8+,20-15+/t19-,21+,25-,27-,30-,31+,33+/m0/s1
InChIKeyXVACANNIRRWPTB-YUUCEKJRSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - PubMed (28927295)
ChEBI Ontology
Outgoing Relation(s)
Yamchaetoglobosin A (CHEBI:220769) is a indoles (CHEBI:24828)
IUPAC Name 
methyl 4-[(1S,3aR,4R,5S,7S,7aR)-4-[(1E,4S,5E)-4,6-dimethyl-7-oxohepta-1,5-dienyl]-5-hydroxy-1-(1H-indol-3-ylmethyl)-7-methyl-6-methylidene-3-oxo-1,2,4,5,7,7a-hexahydroisoindol-3a-yl]-4-oxobutanoate
Manual XrefsDatabases
78441866ChemSpider