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CHEBI:227754 - Tandyukisin B

ChEBI IDCHEBI:227754
ChEBI NameTandyukisin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H40O7
Net Charge0
Average Mass464.599
Monoisotopic Mass464.27740
SMILESCC[C@@H](C)[C@H]1C=C[C@H]2[C@H](OC(=O)/C=C(\C)CC(=O)OC)[C@H](O)C[C@@H](C)[C@@H]2[C@@]1(C)C(=O)CCO
InChIInChI=1S/C26H40O7/c1-7-16(3)19-9-8-18-24(26(19,5)21(29)10-11-27)17(4)14-20(28)25(18)33-23(31)13-15(2)12-22(30)32-6/h8-9,13,16-20,24-25,27-28H,7,10-12,14H2,1-6H3/b15-13+/t16-,17-,18-,19-,20-,24+,25+,26-/m1/s1
InChIKeyBXCOZAAJEASKNU-CLKUXDDTSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (26006715)
ChEBI Ontology
Outgoing Relation(s)
Tandyukisin B (CHEBI:227754) is a fatty acid methyl ester (CHEBI:4986)
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-methyl (E)-3-methylpent-2-enedioate
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35516995ChemSpider