Pallidorosetin A (CHEBI:203444)

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CHEBI:203444 - Pallidorosetin A

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ChEBI ID	CHEBI:203444
ChEBI Name	Pallidorosetin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H31NO5
Net Charge	0
Average Mass	389.492
Monoisotopic Mass	389.22022
SMILES	C/C=C/[C@@H]1C=C[C@@H]2C[C@@](C)(O)CC[C@H]2[C@]1(C)C(O)=C1C(=O)[C@H](CO)N(C)C1=O
InChI	InChI=1S/C22H31NO5/c1-5-6-14-8-7-13-11-21(2,28)10-9-15(13)22(14,3)19(26)17-18(25)16(12-24)23(4)20(17)27/h5-8,13-16,24,26,28H,9-12H2,1-4H3/b6-5+,19-17?/t13-,14-,15-,16+,21+,22-/m1/s1
InChIKey	UBMMPGHGWNFULV-JVTHKHLYSA-N

Species of Metabolite	Component	Source	Comments
Fusarium incarnatum (ncbitaxon:298378)	-	PubMed (24422636)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Pallidorosetin A (CHEBI:203444) is a N-alkylpyrrolidine (CHEBI:46775)

IUPAC Name
(5S)-3-[[(1S,2R,4aS,6S,8aR)-6-hydroxy-1,6-dimethyl-2-[(E)-prop-1-enyl]-2,4a,5,7,8,8a-hexahydronaphthalen-1-yl]-hydroxymethylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione

Manual Xrefs	Databases
78440161	ChemSpider