Neorustmicin C (CHEBI:222456)

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CHEBI:222456 - Neorustmicin C

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ChEBI ID	CHEBI:222456
ChEBI Name	Neorustmicin C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H32O5
Net Charge	0
Average Mass	352.471
Monoisotopic Mass	352.22497
SMILES	CC[C@@H]1OC(=O)[C@@H](C)[C@@H](O)/C(C)=C/C(=O)C[C@H](C)[C@@H](O)/C(C)=C/[C@@H]1C
InChI	InChI=1S/C20H32O5/c1-7-17-11(2)8-12(3)18(22)13(4)9-16(21)10-14(5)19(23)15(6)20(24)25-17/h8,10-11,13,15,17-19,22-23H,7,9H2,1-6H3/b12-8+,14-10+/t11-,13-,15-,17-,18-,19-/m0/s1
InChIKey	HFFNYHVDXSAHMB-TYZYUGPNSA-N

Species of Metabolite	Component	Source	Comments
Micromonospora (ncbitaxon:1873)	-	PubMed (3759645)

ChEBI Ontology

Outgoing Relation(s)
	Neorustmicin C (CHEBI:222456) is a macrolide (CHEBI:25106)

IUPAC Name
(3S,4R,5E,9S,10R,11E,13S,14S)-14-ethyl-4,10-dihydroxy-3,5,9,11,13-pentamethyl-1-oxacyclotetradeca-5,11-diene-2,7-dione

Manual Xrefs	Databases
78443011	ChemSpider