Nhatrangin A (CHEBI:202375)

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CHEBI:202375 - Nhatrangin A

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ChEBI ID	CHEBI:202375
ChEBI Name	Nhatrangin A
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Submitter	MetaboLights
Downloads	Molfile

Formula	C21H32O8
Net Charge	0
Average Mass	412.479
Monoisotopic Mass	412.20972
SMILES	COC(CC[C@H](C)[C@@H](OC(=O)C[C@@H](O)[C@@H](C)O)[C@@H](C)C(=O)O)c1cccc(O)c1
InChI	InChI=1S/C21H32O8/c1-12(8-9-18(28-4)15-6-5-7-16(23)10-15)20(13(2)21(26)27)29-19(25)11-17(24)14(3)22/h5-7,10,12-14,17-18,20,22-24H,8-9,11H2,1-4H3,(H,26,27)/t12-,13+,14+,17+,18?,20+/m0/s1
InChIKey	SDQFZZGLPYJDFO-OJXPGGKMSA-N

Species of Metabolite	Component	Source	Comments
Lyngbya majuscula (ncbitaxon:158786)	-	PubMed (20373744)

ChEBI Ontology

Outgoing Relation(s)
	Nhatrangin A (CHEBI:202375) is a benzyl ether (CHEBI:59859)

IUPAC Name
(2R,3R,4S)-3-[(3R,4R)-3,4-dihydroxypentanoyl]oxy-7-(3-hydroxyphenyl)-7-methoxy-2,4-dimethylheptanoic acid

Manual Xrefs	Databases
78436861	ChemSpider