Trichocladinol B (CHEBI:203108)

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CHEBI:203108 - Trichocladinol B

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ChEBI ID	CHEBI:203108
ChEBI Name	Trichocladinol B
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Submitter	MetaboLights
Downloads	Molfile

Formula	C12H16O5
Net Charge	0
Average Mass	240.255
Monoisotopic Mass	240.09977
SMILES	COC(=O)[C@@]12C(O)[C@@]3(C)O[C@@H]1[C@@H](C=C[C@@H]2C)O3
InChI	InChI=1S/C12H16O5/c1-6-4-5-7-8-12(6,10(14)15-3)9(13)11(2,16-7)17-8/h4-9,13H,1-3H3/t6-,7+,8+,9?,11+,12+/m0/s1
InChIKey	CMKNRAGJXTXODZ-YRMMBSSSSA-N

Species of Metabolite	Component	Source	Comments
Pleotrichocladium opacum (ncbitaxon:2016671)	-	DOI (10.1002/ejoc.200900735)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Trichocladinol B (CHEBI:203108) is a 3-hydroxy carboxylic acid (CHEBI:61355)

IUPAC Name
methyl (1R,3R,6S,7S,8S)-10-hydroxy-1,6-dimethyl-2,9-dioxatricyclo[5.2.1.03,8]dec-4-ene-7-carboxylate

Manual Xrefs	Databases
78436959	ChemSpider