CJ-12,950 (CHEBI:218618)

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CHEBI:218618 - CJ-12,950

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ChEBI ID	CHEBI:218618
ChEBI Name	CJ-12,950
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H26N2O8
Net Charge	0
Average Mass	458.467
Monoisotopic Mass	458.16892
SMILES	CO/N=C\C=C/C(=O)N/C=C/CC1CC(O)[C@H]2O[C@H]2C(O)/C=C/c2cccc(O)c2C(=O)O1
InChI	InChI=1S/C23H26N2O8/c1-31-25-12-4-8-19(29)24-11-3-6-15-13-18(28)22-21(33-22)17(27)10-9-14-5-2-7-16(26)20(14)23(30)32-15/h2-5,7-12,15,17-18,21-22,26-28H,6,13H2,1H3,(H,24,29)/b8-4-,10-9+,11-3+,25-12-/t15?,17?,18?,21-,22+/m0/s1
InChIKey	WMEKNEKHVSSIHM-MLSHEUATSA-N

Species of Metabolite	Component	Source	Comments
Podila verticillata (ncbitaxon:78898)	-	PubMed (9531982)

ChEBI Ontology

Outgoing Relation(s)
	CJ-12,950 (CHEBI:218618) is a macrolide (CHEBI:25106)

IUPAC Name
(Z,4Z)-4-methoxyimino-N-[(E)-3-[(2E,5S,7R)-4,8,14-trihydroxy-12-oxo-6,11-dioxatricyclo[11.4.0.05,7]heptadeca-1(13),2,14,16-tetraen-10-yl]prop-1-enyl]but-2-enamide

Manual Xrefs	Databases
78445200	ChemSpider