Phomalide (CHEBI:213429)

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CHEBI:213429 - Phomalide

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ChEBI ID	CHEBI:213429
ChEBI Name	Phomalide
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H43N3O7
Net Charge	0
Average Mass	557.688
Monoisotopic Mass	557.31010
SMILES	C/C=C1/NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](Cc2ccccc2)OC1=O
InChI	InChI=1S/C30H43N3O7/c1-8-21-29(37)40-24(16-20-12-10-9-11-13-20)30(38)39-23(15-18(4)5)27(35)32-22(14-17(2)3)26(34)33-25(19(6)7)28(36)31-21/h8-13,17-19,22-25H,14-16H2,1-7H3,(H,31,36)(H,32,35)(H,33,34)/b21-8+/t22-,23+,24+,25+/m1/s1
InChIKey	CFTIBXPRNRXQEG-TYHNAPLMSA-N

Species of Metabolite	Component	Source	Comments
Plenodomus lingam (ncbitaxon:5022)	-	DOI (10.1021/jo00070a002)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Phomalide (CHEBI:213429) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3S,6E,9S,12R,15S)-3-benzyl-6-ethylidene-12,15-bis(2-methylpropyl)-9-propan-2-yl-1,4-dioxa-7,10,13-triazacyclopentadecane-2,5,8,11,14-pentone

Manual Xrefs	Databases
9093971	ChemSpider