Trichurusin H/trichurusin I (CHEBI:222817)

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CHEBI:222817 - Trichurusin H/trichurusin I

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ChEBI ID	CHEBI:222817
ChEBI Name	Trichurusin H/trichurusin I
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H38O7
Net Charge	0
Average Mass	450.572
Monoisotopic Mass	450.26175
SMILES	CC(/C=C/C(=O)O[C@@H]1C=CC(=O)O[C@@H]1[C@@H](C)C[C@@H](C)CC1(C)OC1C)=C\[C@@H](CO)CCO
InChI	InChI=1S/C25H38O7/c1-16(13-20(15-27)10-11-26)6-8-22(28)30-21-7-9-23(29)31-24(21)18(3)12-17(2)14-25(5)19(4)32-25/h6-9,13,17-21,24,26-27H,10-12,14-15H2,1-5H3/b8-6+,16-13+/t17-,18+,19?,20+,21-,24-,25?/m1/s1
InChIKey	AOHWBVWZGFQODA-ADFGBAKSSA-N

Species of Metabolite	Component	Source	Comments
Trichurus terrophilus (ncbitaxon:644595)	-	PubMed (16079521)

ChEBI Ontology

Outgoing Relation(s)
	Trichurusin H/trichurusin I (CHEBI:222817) is a aliphatic alcohol (CHEBI:2571)

IUPAC Name
[(2R,3R)-2-[(2S,4R)-5-(2,3-dimethyloxiran-2-yl)-4-methylpentan-2-yl]-6-oxo-2,3-dihydropyran-3-yl] (2E,4E,6S)-8-hydroxy-6-(hydroxymethyl)-4-methylocta-2,4-dienoate

Manual Xrefs	Databases
78438251	ChemSpider