Pallidorosetin B (CHEBI:198335)

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CHEBI:198335 - Pallidorosetin B

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ChEBI ID	CHEBI:198335
ChEBI Name	Pallidorosetin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H31NO6
Net Charge	0
Average Mass	405.491
Monoisotopic Mass	405.21514
SMILES	CN1C(=O)C(=C(O)[C@@]2(C)[C@@H]3CC[C@@H](CO)C[C@H]3C=C[C@H]2/C=C/CO)C(=O)C1CO
InChI	InChI=1S/C22H31NO6/c1-22(20(28)18-19(27)17(12-26)23(2)21(18)29)15(4-3-9-24)7-6-14-10-13(11-25)5-8-16(14)22/h3-4,6-7,13-17,24-26,28H,5,8-12H2,1-2H3/b4-3+,20-18?/t13-,14-,15-,16-,17?,22-/m1/s1
InChIKey	APROBHCDEURQFU-SYRFTUFVSA-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 B (CHEBI:198335) is a N-alkylpyrrolidine (CHEBI:46775)

IUPAC Name
3-[[(1S,2S,4aS,6R,8aR)-6-(hydroxymethyl)-2-[(E)-3-hydroxyprop-1-enyl]-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione

Manual Xrefs	Databases
78440005	ChemSpider