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CHEBI:217377 - Tandyukisin F

ChEBI IDCHEBI:217377
ChEBI NameTandyukisin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H76O13
Net Charge0
Average Mass897.156
Monoisotopic Mass896.52859
SMILESCC[C@@H](C)[C@H]1C=C[C@H]2[C@H](O)[C@H](OC(=O)/C=C(\C)CC(=O)OCCC(=O)[C@]3(C)[C@@H]4[C@@H](C=C[C@@H]3[C@H](C)CC)[C@H](O)[C@H](OC(=O)/C=C(\C)CC(=O)OC)C[C@H]4C)C[C@@H](C)[C@@H]2[C@@]1(C)C(=O)CCO
InChIInChI=1S/C51H76O13/c1-12-30(5)36-16-14-34-46(50(36,9)40(53)18-20-52)32(7)26-38(48(34)59)64-45(58)25-29(4)23-43(56)62-21-19-41(54)51(10)37(31(6)13-2)17-15-35-47(51)33(8)27-39(49(35)60)63-44(57)24-28(3)22-42(55)61-11/h14-17,24-25,30-39,46-49,52,59-60H,12-13,18-23,26-27H2,1-11H3/b28-24+,29-25+/t30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,46+,47+,48+,49+,50-,51-/m1/s1
InChIKeyFKGNITHYYWECKY-UXBIVWNKSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - DOI (10.1016/j.tetlet.2016.10.004)
ChEBI Ontology
Outgoing Relation(s)
Tandyukisin F (CHEBI:217377) has functional parent tetracarboxylic acid (CHEBI:35742)
Tandyukisin F (CHEBI:217377) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
1-O-[(1S,2R,4R,4aS,5S,6S,8aR)-5-[3-[(E)-5-[[(1S,2R,4R,4aS,5S,6S,8aR)-6-[(2R)-butan-2-yl]-1-hydroxy-5-(3-hydroxypropanoyl)-4,5-dimethyl-2,3,4,4a,6,8a-hexahydro-1H-naphthalen-2-yl]oxy]-3-methyl-5-oxopent-3-enoyl]oxypropanoyl]-6-[(2R)-butan-2-yl]-1-hydroxy-4,5-dimethyl-2,3,4,4a,6,8a-hexahydro-1H-naphthalen-2-yl] 5-O-methyl (E)-3-methylpent-2-enedioate
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