Deoxynortrichoharzin (CHEBI:225939)

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CHEBI:225939 - Deoxynortrichoharzin

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ChEBI ID	CHEBI:225939
ChEBI Name	Deoxynortrichoharzin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H36O6
Net Charge	0
Average Mass	420.546
Monoisotopic Mass	420.25119
SMILES	CC[C@@H](C)[C@H]1C=C[C@H]2[C@H](O)[C@H](OC(=O)/C=C(\C)CC(=O)O)C[C@@H](C)[C@@H]2[C@@]1(C)C(C)=O
InChI	InChI=1S/C24H36O6/c1-7-14(3)18-9-8-17-22(24(18,6)16(5)25)15(4)12-19(23(17)29)30-21(28)11-13(2)10-20(26)27/h8-9,11,14-15,17-19,22-23,29H,7,10,12H2,1-6H3,(H,26,27)/b13-11+/t14-,15-,17-,18-,19-,22+,23+,24+/m1/s1
InChIKey	FUTZVCABGNACKX-QKIFKDKCSA-N

Species of Metabolite	Component	Source	Comments
Paecilomycesspecies (ncbitaxon:40383)	-	PubMed (9868170)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Deoxynortrichoharzin (CHEBI:225939) is a hydroxy fatty acid (CHEBI:24654)

IUPAC Name
(E)-5-[[(1S,2R,4R,4aS,5S,6S,8aR)-5-acetyl-6-[(2R)-butan-2-yl]-1-hydroxy-4,5-dimethyl-2,3,4,4a,6,8a-hexahydro-1H-naphthalen-2-yl]oxy]-3-methyl-5-oxopent-3-enoic acid

Manual Xrefs	Databases
8821162	ChemSpider