Trichocladinol H (CHEBI:209481)

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CHEBI:209481 - Trichocladinol H

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ChEBI ID	CHEBI:209481
ChEBI Name	Trichocladinol H
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Submitter	MetaboLights
Downloads	Molfile

Formula	C12H18O6
Net Charge	0
Average Mass	258.270
Monoisotopic Mass	258.11034
SMILES	COC(=O)[C@@]12C(C(C)=O)O[C@@H](C[C@H](O)[C@H]1O)[C@H]2C
InChI	InChI=1S/C12H18O6/c1-5-8-4-7(14)9(15)12(5,11(16)17-3)10(18-8)6(2)13/h5,7-10,14-15H,4H2,1-3H3/t5-,7+,8+,9-,10?,12-/m1/s1
InChIKey	XOZSSHRNIMMPOJ-ADRUEPBXSA-N

Species of Metabolite	Component	Source	Comments
Pleotrichocladium opacum (ncbitaxon:2016671)	-	PubMed (24354429)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Trichocladinol H (CHEBI:209481) is a oxo carboxylic acid (CHEBI:25754)

IUPAC Name
methyl (1R,2S,3S,5S,8S)-7-acetyl-2,3-dihydroxy-8-methyl-6-oxabicyclo[3.2.1]octane-1-carboxylate

Manual Xrefs	Databases
78438477	ChemSpider