Tandyukisin C (CHEBI:227760)

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CHEBI:227760 - Tandyukisin C

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ChEBI ID	CHEBI:227760
ChEBI Name	Tandyukisin C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H38O7
Net Charge	0
Average Mass	450.572
Monoisotopic Mass	450.26175
SMILES	CC[C@@H](C)[C@H]1C=C[C@H]2[C@H](OC(=O)C/C(C)=C\C(=O)O)[C@H](O)C[C@@H](C)[C@@H]2[C@@]1(C)C(=O)CCO
InChI	InChI=1S/C25H38O7/c1-6-15(3)18-8-7-17-23(25(18,5)20(28)9-10-26)16(4)13-19(27)24(17)32-22(31)12-14(2)11-21(29)30/h7-8,11,15-19,23-24,26-27H,6,9-10,12-13H2,1-5H3,(H,29,30)/b14-11-/t15-,16-,17-,18-,19-,23+,24+,25-/m1/s1
InChIKey	KJWAVLVCRZZPRH-TYKOSLHPSA-N

Species of Metabolite	Component	Source	Comments
Trichoderma (ncbitaxon:5543)	-	PubMed (26006715)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Tandyukisin C (CHEBI:227760) is a hydroxy fatty acid (CHEBI:24654)

IUPAC Name
(Z)-5-[[(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]oxy]-3-methyl-5-oxopent-2-enoic acid

Manual Xrefs	Databases
35516996	ChemSpider