Trichoharzianol (CHEBI:202862)

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CHEBI:202862 - Trichoharzianol

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ChEBI ID	CHEBI:202862
ChEBI Name	Trichoharzianol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H32O4
Net Charge	0
Average Mass	336.472
Monoisotopic Mass	336.23006
SMILES	CC[C@@H](C)C1C=C[C@H]2[C@@H]3OCO[C@@H]3C[C@@H](C)[C@@H]2[C@@]1(C)C(=O)CCO
InChI	InChI=1S/C20H32O4/c1-5-12(2)15-7-6-14-18(20(15,4)17(22)8-9-21)13(3)10-16-19(14)24-11-23-16/h6-7,12-16,18-19,21H,5,8-11H2,1-4H3/t12-,13-,14-,15?,16-,18+,19+,20-/m1/s1
InChIKey	CNUWNHOFHGGLHN-JPRIENHFSA-N

Species of Metabolite	Component	Source	Comments
Trichoderma (ncbitaxon:5543)	-	PubMed (25817439)

ChEBI Ontology

Outgoing Relation(s)
	Trichoharzianol (CHEBI:202862) is a β-hydroxy ketone (CHEBI:55380)

IUPAC Name
1-[(3aR,5R,5aS,6S,9aR,9bS)-7-[(2R)-butan-2-yl]-5,6-dimethyl-4,5,5a,7,9a,9b-hexahydro-3aH-naphtho[1,2-d][1,3]dioxol-6-yl]-3-hydroxypropan-1-one

Manual Xrefs	Databases
78436923	ChemSpider