[(4S,5'S,6R,6'S,8R,10E,13S,14E,16E,20R,21R,24S)-6'-[(E)-but-2-en-2-yl]-21,24-dihydroxy-5',11,13,22-tetramethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-12-yl] 2-methylpropanoate (CHEBI:202332)

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CHEBI:202332 - [(4S,5'S,6R,6'S,8R,10E,13S,14E,16E,20R,21R,24S)-6'-[(E)-but-2-en-2-yl]-21,24-dihydroxy-5',11,13,22-tetramethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-12-yl] 2-methylpropanoate

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ChEBI ID	CHEBI:202332
ChEBI Name	[(4S,5'S,6R,6'S,8R,10E,13S,14E,16E,20R,21R,24S)-6'-[(E)-but-2-en-2-yl]-21,24-dihydroxy-5',11,13,22-tetramethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-12-yl] 2-methylpropanoate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C38H54O9
Net Charge	0
Average Mass	654.841
Monoisotopic Mass	654.37678
SMILES	C/C=C(\C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)C(OC(=O)C(C)C)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=CC(C(=O)O1)[C@]34O)O2
InChI	InChI=1S/C38H54O9/c1-9-22(4)33-25(7)15-16-37(47-33)19-29-18-28(46-37)14-13-24(6)32(45-35(40)21(2)3)23(5)11-10-12-27-20-43-34-31(39)26(8)17-30(36(41)44-29)38(27,34)42/h9-13,17,21,23,25,28-34,39,42H,14-16,18-20H2,1-8H3/b11-10+,22-9+,24-13+,27-12-/t23-,25-,28+,29-,30?,31+,32?,33+,34+,37+,38+/m0/s1
InChIKey	XQJPRIJOJVJRFC-RWBIPHABSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (1624368)

Roles Classification

Biological Role:

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

ChEBI Ontology

Outgoing Relation(s)
	[(4S,5'S,6R,6'S,8R,10E,13S,14E,16E,20R,21R,24S)-6'-[(E)-but-2-en-2-yl]-21,24-dihydroxy-5',11,13,22-tetramethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-12-yl] 2-methylpropanoate (CHEBI:202332) is a milbemycin (CHEBI:50345)

IUPAC Name
[(4S,5'S,6R,6'S,8R,10E,13S,14E,16E,20R,21R,24S)-6'-[(E)-but-2-en-2-yl]-21,24-dihydroxy-5',11,13,22-tetramethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-12-yl] 2-methylpropanoate

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