Paraherquamide J (CHEBI:211407)

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CHEBI:211407 - Paraherquamide J

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ChEBI ID	CHEBI:211407
ChEBI Name	Paraherquamide J
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H33N3O5
Net Charge	0
Average Mass	491.588
Monoisotopic Mass	491.24202
SMILES	C[C@@H]1C[C@@]23C[C@H]4C(C)(C)[C@@]5(C[C@]4(CN2C1=O)N(C)C3=O)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2
InChI	InChI=1S/C28H33N3O5/c1-15-11-26-12-18-25(4,5)28(13-27(18,30(6)23(26)34)14-31(26)21(15)32)16-7-8-17-20(19(16)29-22(28)33)35-10-9-24(2,3)36-17/h7-10,15,18H,11-14H2,1-6H3,(H,29,33)/t15-,18+,26+,27-,28-/m1/s1
InChIKey	PNRZRLCKLQMXGH-ZMRQOHPNSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus duricaulis (ncbitaxon:75552)	-	PubMed (26517152)

ChEBI Ontology

Outgoing Relation(s)
	Paraherquamide J (CHEBI:211407) is a azaspiro compound (CHEBI:35624)

IUPAC Name
(1'S,5'R,7'R,8R,9'S)-4,4,5',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]-4',9,14'-trione