FJ120DPA (CHEBI:208768)

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CHEBI:208768 - FJ120DPA

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ChEBI ID	CHEBI:208768
ChEBI Name	FJ120DPA
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C38H50N6O9
Net Charge	0
Average Mass	734.851
Monoisotopic Mass	734.36393
SMILES	CC(=O)N[C@@H]1C(=O)N[C@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)O[C@@H]1C
InChI	InChI=1S/C38H50N6O9/c1-21(2)31-37(51)44-18-10-13-29(44)33(47)41-28(19-26-14-16-27(46)17-15-26)36(50)43(6)30(20-25-11-8-7-9-12-25)34(48)39-22(3)38(52)53-23(4)32(35(49)42-31)40-24(5)45/h7-9,11-12,14-17,21-23,28-32,46H,10,13,18-20H2,1-6H3,(H,39,48)(H,40,45)(H,41,47)(H,42,49)/t22-,23+,28-,29-,30-,31+,32-/m0/s1
InChIKey	XXGGUYOBOGKLEA-SDUBJODWSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus ochraceopetaliformis (ncbitaxon:176175)	-	PubMed (31438635)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	FJ120DPA (CHEBI:208768) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
N-[(3R,6S,7R,10S,13S,16S,19S)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-7,10,14-trimethyl-2,5,9,12,15,18-hexaoxo-3-propan-2-yl-8-oxa-1,4,11,14,17-pentazabicyclo[17.3.0]docosan-6-yl]acetamide

Manual Xrefs	Databases
80564760	ChemSpider