Swalpamycin (CHEBI:204767)

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CHEBI:204767 - Swalpamycin

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ChEBI ID	CHEBI:204767
ChEBI Name	Swalpamycin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C37H56O14
Net Charge	0
Average Mass	724.841
Monoisotopic Mass	724.36701
SMILES	COC1C(OCC2C=CC=CC(=O)C(C)CC(C)C(OC3OC(C)CC4(OC(=O)OC4C)C3O)C(C)C=CC(=O)OC2C)OC(C)C(O)C1OC
InChI	InChI=1S/C37H56O14/c1-19-14-15-28(39)47-23(5)26(18-45-34-32(44-9)31(43-8)29(40)24(6)48-34)12-10-11-13-27(38)20(2)16-21(3)30(19)50-35-33(41)37(17-22(4)46-35)25(7)49-36(42)51-37/h10-15,19-26,29-35,40-41H,16-18H2,1-9H3
InChIKey	AAUZLHJDJNJJDM-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (3680001)

ChEBI Ontology

Outgoing Relation(s)
	Swalpamycin (CHEBI:204767) is a macrolide (CHEBI:25106)

IUPAC Name
15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-6-[(6-hydroxy-4,9-dimethyl-2-oxo-1,3,8-trioxaspiro[4.5]decan-7-yl)oxy]-5,7,9,16-tetramethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione