Neopestalotin C (CHEBI:219682)

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CHEBI:219682 - Neopestalotin C

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ChEBI ID	CHEBI:219682
ChEBI Name	Neopestalotin C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H33NO5
Net Charge	0
Average Mass	403.519
Monoisotopic Mass	403.23587
SMILES	C/C=C/[C@@H]1C(C)=C[C@@H]2C[C@](C)(O)CC[C@H]2[C@]1(C)/C(O)=C1/C(=O)N[C@@H]([C@@H](C)O)C1=O
InChI	InChI=1S/C23H33NO5/c1-6-7-15-12(2)10-14-11-22(4,29)9-8-16(14)23(15,5)20(27)17-19(26)18(13(3)25)24-21(17)28/h6-7,10,13-16,18,25,27,29H,8-9,11H2,1-5H3,(H,24,28)/b7-6+,20-17-/t13-,14-,15-,16-,18+,22-,23-/m1/s1
InChIKey	SNXAKSRHGXBEES-OAEATYJWSA-N

Species of Metabolite	Component	Source	Comments
Neopestalotiopsisspecies (ncbitaxon:1849553)	-	PubMed (25818228)

ChEBI Ontology

Outgoing Relation(s)
	Neopestalotin C (CHEBI:219682) is a pyrroline (CHEBI:23763)

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

Manual Xrefs	Databases
78442049	ChemSpider