Beauvenniatin C (CHEBI:212978)

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CHEBI:212978 - Beauvenniatin C

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ChEBI ID	CHEBI:212978
ChEBI Name	Beauvenniatin C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C37H57N3O10
Net Charge	0
Average Mass	703.874
Monoisotopic Mass	703.40440
SMILES	CC(C)[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H](C(C)C)C(=O)N1C
InChI	InChI=1S/C37H57N3O10/c1-19(2)27-36(46)49-29(21(5)6)32(42)38(11)26(18-24-14-16-25(41)17-15-24)35(45)48-30(22(7)8)33(43)39(12)28(20(3)4)37(47)50-31(23(9)10)34(44)40(27)13/h14-17,19-23,26-31,41H,18H2,1-13H3/t26-,27-,28-,29+,30+,31+/m0/s1
InChIKey	MOHJMEJNJVKXED-JYMVZIKVSA-N

Species of Metabolite	Component	Source	Comments
Acremonium (ncbitaxon:159075)	-	DOI (10.1016/j.tet.2011.08.041)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Beauvenniatin C (CHEBI:212978) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3S,6R,9S,12R,15S,18R)-3-[(4-hydroxyphenyl)methyl]-4,10,16-trimethyl-6,9,12,15,18-penta(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

Manual Xrefs	Databases
78438023	ChemSpider