Pellasoren B (CHEBI:221880)

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CHEBI:221880 - Pellasoren B

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ChEBI ID	CHEBI:221880
ChEBI Name	Pellasoren B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H41NO4
Net Charge	0
Average Mass	431.617
Monoisotopic Mass	431.30356
SMILES	CC/C=C(\OC)C(=O)N[C@@H](C)/C=C(C)/C=C(C)\C=C\C[C@@H](C)[C@@H]1OC(=O)[C@@H](C)C[C@H]1C
InChI	InChI=1S/C26H41NO4/c1-9-11-23(30-8)25(28)27-22(7)15-18(3)14-17(2)12-10-13-19(4)24-20(5)16-21(6)26(29)31-24/h10-12,14-15,19-22,24H,9,13,16H2,1-8H3,(H,27,28)/b12-10+,17-14-,18-15+,23-11-/t19-,20-,21+,22+,24+/m1/s1
InChIKey	KJDLCCSAVYUQIT-PMQYGEQSSA-N

Species of Metabolite	Component	Source	Comments
Sorangium (ncbitaxon:39643)	-	PubMed (22488911)

ChEBI Ontology

Outgoing Relation(s)
	Pellasoren B (CHEBI:221880) is a δ-lactone (CHEBI:18946)

IUPAC Name
(Z)-N-[(2S,3E,5Z,7E,10R)-10-[(2S,3R,5S)-3,5-dimethyl-6-oxooxan-2-yl]-4,6-dimethylundeca-3,5,7-trien-2-yl]-2-methoxypent-2-enamide