EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:217370 - Tandyukisin E

ChEBI IDCHEBI:217370
ChEBI NameTandyukisin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H46O8
Net Charge0
Average Mass570.723
Monoisotopic Mass570.31927
SMILESCC[C@@H](C)[C@H]1C=C[C@H]2[C@H](OC(=O)/C=C(\C)CC(=O)OCCc3ccc(O)cc3)[C@H](O)C[C@@H](C)[C@@H]2[C@@]1(C)C(=O)CCO
InChIInChI=1S/C33H46O8/c1-6-21(3)26-12-11-25-31(33(26,5)28(37)13-15-34)22(4)19-27(36)32(25)41-30(39)18-20(2)17-29(38)40-16-14-23-7-9-24(35)10-8-23/h7-12,18,21-22,25-27,31-32,34-36H,6,13-17,19H2,1-5H3/b20-18+/t21-,22-,25-,26-,27-,31+,32+,33-/m1/s1
InChIKeyVOSSZFPYGNTGSP-NQGMEICISA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - DOI (10.1016/j.tetlet.2016.10.004)
ChEBI Ontology
Outgoing Relation(s)
Tandyukisin E (CHEBI:217370) is a alcohol (CHEBI:30879)
Tandyukisin E (CHEBI:217370) is a phenols (CHEBI:33853)
IUPAC Name 
1-O-[(1S,2R,4R,4aS,5S,6S,8aR)-6-[(2R)-butan-2-yl]-2-hydroxy-5-(3-hydroxypropanoyl)-4,5-dimethyl-2,3,4,4a,6,8a-hexahydro-1H-naphthalen-1-yl] 5-O-[2-(4-hydroxyphenyl)ethyl] (E)-3-methylpent-2-enedioate
Manual XrefsDatabases
58197345ChemSpider