Paraherquamide E (CHEBI:224569)

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CHEBI:224569 - Paraherquamide E

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ChEBI ID	CHEBI:224569
ChEBI Name	Paraherquamide E
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H35N3O4
Net Charge	0
Average Mass	477.605
Monoisotopic Mass	477.26276
SMILES	CC1CCN2C[C@@]34CC5(C(=O)Nc6c5ccc5c6OC=CC(C)(C)O5)C(C)(C)[C@H]3C[C@@]12C(=O)N4C
InChI	InChI=1S/C28H35N3O4/c1-16-9-11-31-15-26-14-27(25(4,5)19(26)13-28(16,31)23(33)30(26)6)17-7-8-18-21(20(17)29-22(27)32)34-12-10-24(2,3)35-18/h7-8,10,12,16,19H,9,11,13-15H2,1-6H3,(H,29,32)/t16?,19-,26+,27?,28+/m1/s1
InChIKey	XNXXZRQPTAQILV-TVKVCOJCSA-N

Species of Metabolite	Component	Source	Comments
Penicillium charlesii (ncbitaxon:69767)	-	PubMed (2272915)

ChEBI Ontology

Outgoing Relation(s)
	Paraherquamide E (CHEBI:224569) is a azaspiro compound (CHEBI:35624)

IUPAC Name
(1'R,7'S,9'R)-4,4,6',10',10',13'-hexamethylspiro[10H-[1,4]dioxepino[2,3-g]indole-8,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-9,14'-dione