(1R,4S,4'S,5'S,6R,6'S,8R,10E,13R,14E,16Z,20R,21R,24S)-4',21,24-trihydroxy-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2,18-dione (CHEBI:225793)

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CHEBI:225793 - (1R,4S,4'S,5'S,6R,6'S,8R,10E,13R,14E,16Z,20R,21R,24S)-4',21,24-trihydroxy-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2,18-dione

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ChEBI ID	CHEBI:225793
ChEBI Name	(1R,4S,4'S,5'S,6R,6'S,8R,10E,13R,14E,16Z,20R,21R,24S)-4',21,24-trihydroxy-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2,18-dione
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C36H50O9
Net Charge	0
Average Mass	626.787
Monoisotopic Mass	626.34548
SMILES	CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4/C(=O)O[C@H]([C@@H]1O)[C@@]42O)O[C@]1(C3)C[C@H](O)[C@H](C)[C@@H](/C(C)=C/C(C)C)O1
InChI	InChI=1S/C36H50O9/c1-19(2)13-23(6)31-24(7)29(37)18-35(45-31)17-26-16-25(44-35)12-11-21(4)14-20(3)9-8-10-27-33(39)43-32-30(38)22(5)15-28(34(40)42-26)36(27,32)41/h8-11,13,15,19-20,24-26,28-32,37-38,41H,12,14,16-18H2,1-7H3/b9-8+,21-11+,23-13+,27-10-/t20-,24-,25+,26-,28-,29-,30+,31+,32+,35-,36+/m0/s1
InChIKey	NIWUWXDZYTWVHV-RPFDFAGPSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces microflavus (ncbitaxon:1919)	-	PubMed (23992860)

Roles Classification

Biological Role:

bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria.

ChEBI Ontology

Outgoing Relation(s)
	(1R,4S,4'S,5'S,6R,6'S,8R,10E,13R,14E,16Z,20R,21R,24S)-4',21,24-trihydroxy-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2,18-dione (CHEBI:225793) is a milbemycin (CHEBI:50345)

IUPAC Name
(1R,4S,4'S,5'S,6R,6'S,8R,10E,13R,14E,16Z,20R,21R,24S)-4',21,24-trihydroxy-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2,18-dione

Manual Xrefs	Databases
78441232	ChemSpider