Dihydrotrichotetronine (CHEBI:198035)

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CHEBI:198035 - Dihydrotrichotetronine

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ChEBI ID	CHEBI:198035
ChEBI Name	Dihydrotrichotetronine
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H34O8
Net Charge	0
Average Mass	498.572
Monoisotopic Mass	498.22537
SMILES	C/C=C/C=C/C(O)=C1/C(=O)[C@]2(C)C(=O)C(C)(O)[C@H]1[C@H]([C@]1(C)OC(=O)C(C)=C1O)[C@H]2C(=O)CC/C=C/C
InChI	InChI=1S/C28H34O8/c1-7-9-11-13-16(29)18-20-21(28(6)22(31)15(3)24(33)36-28)19(17(30)14-12-10-8-2)26(4,23(18)32)25(34)27(20,5)35/h7-11,13,19-21,29,31,35H,12,14H2,1-6H3/b9-7+,10-8+,13-11+,18-16-/t19-,20-,21-,26-,27?,28+/m1/s1
InChIKey	KCPUSSJDCHTZSH-WLBJBHMBSA-N

Species of Metabolite	Component	Source	Comments
Trichoderma citrinoviride (ncbitaxon:58853)	-	DOI (10.1039/a704963c)

ChEBI Ontology

Outgoing Relation(s)
	Dihydrotrichotetronine (CHEBI:198035) is a butenolide (CHEBI:50523)

IUPAC Name
(1R,4S,5Z,7R,8S)-7-[(E)-hex-4-enoyl]-3-hydroxy-8-[(2S)-3-hydroxy-2,4-dimethyl-5-oxouran-2-yl]-5-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione

Manual Xrefs	Databases
78443363	ChemSpider