Tandyukisin (CHEBI:226893)

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CHEBI:226893 - Tandyukisin

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ChEBI ID	CHEBI:226893
ChEBI Name	Tandyukisin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H38O7
Net Charge	0
Average Mass	462.583
Monoisotopic Mass	462.26175
SMILES	COC(=O)C/C(C)=C/C(=O)O[C@@H]1C[C@@H](C)[C@H]2[C@@H](C=C[C@H](CC(C)C)[C@]2(C)C(=O)/C=C\O)[C@@H]1O
InChI	InChI=1S/C26H38O7/c1-15(2)11-18-7-8-19-24(26(18,5)21(28)9-10-27)17(4)14-20(25(19)31)33-23(30)13-16(3)12-22(29)32-6/h7-10,13,15,17-20,24-25,27,31H,11-12,14H2,1-6H3/b10-9-,16-13+/t17-,18-,19-,20-,24+,25+,26-/m1/s1
InChIKey	VSNXRBQFJBRKCU-AZKUIIKHSA-N

Species of Metabolite	Component	Source	Comments
Trichoderma harzianum (ncbitaxon:5544)	-	DOI (10.1016/j.tetlet.2013.11.107)

ChEBI Ontology

Outgoing Relation(s)
	Tandyukisin (CHEBI:226893) is a fatty acid methyl ester (CHEBI:4986)

IUPAC Name
1-O-[(1S,2R,4R,4aS,5S,6S,8aR)-1-hydroxy-5-[(Z)-3-hydroxyprop-2-enoyl]-4,5-dimethyl-6-(2-methylpropyl)-2,3,4,4a,6,8a-hexahydro-1H-naphthalen-2-yl] 5-O-methyl (E)-3-methylpent-2-enedioate

Manual Xrefs	Databases
32033858	ChemSpider