Colletopeptide B (CHEBI:223986)

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CHEBI:223986 - Colletopeptide B

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ChEBI ID	CHEBI:223986
ChEBI Name	Colletopeptide B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H48N2O6
Net Charge	0
Average Mass	532.722
Monoisotopic Mass	532.35124
SMILES	CC(C)C[C@H]1C(=O)O[C@H]([C@@H](C)CCCC[C@@H](C)O)C[C@@H](O)[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N1C
InChI	InChI=1S/C30H48N2O6/c1-19(2)16-25-30(37)38-27(20(3)12-10-11-13-21(4)33)18-26(34)22(5)28(35)31-24(29(36)32(25)6)17-23-14-8-7-9-15-23/h7-9,14-15,19-22,24-27,33-34H,10-13,16-18H2,1-6H3,(H,31,35)/t20-,21+,22+,24+,25-,26+,27-/m0/s1
InChIKey	UZCOJEWMPWMEGB-QAWYXWLYSA-N

Species of Metabolite	Component	Source	Comments
Colletotrichumspecies S8 (ncbitaxon:1552291)	-	PubMed (31181925)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Colletopeptide B (CHEBI:223986) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3S,6R,9R,10R,12S)-6-benzyl-10-hydroxy-12-[(2S,7R)-7-hydroxyoctan-2-yl]-4,9-dimethyl-3-(2-methylpropyl)-1-oxa-4,7-diazacyclododecane-2,5,8-trione

Manual Xrefs	Databases
128434564	ChemSpider