(1S,4R,4'S,5'S,6'S,7R,8R,9S,10E,12E,14R,16E,19R,21R)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one (CHEBI:220951)

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CHEBI:220951 - (1S,4R,4'S,5'S,6'S,7R,8R,9S,10E,12E,14R,16E,19R,21R)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one

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ChEBI ID	CHEBI:220951
ChEBI Name	(1S,4R,4'S,5'S,6'S,7R,8R,9S,10E,12E,14R,16E,19R,21R)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C37H56O9
Net Charge	0
Average Mass	644.846
Monoisotopic Mass	644.39243
SMILES	CO[C@@H]1C(C)=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C(\CO)[C@]2(O)[C@@H]1O)O[C@]1(C3)C[C@H](O)[C@H](C)[C@@H](/C(C)=C/C(C)C)O1
InChI	InChI=1S/C37H56O9/c1-21(2)14-24(5)32-26(7)31(39)19-36(46-32)18-29-17-28(45-36)13-12-23(4)15-22(3)10-9-11-27(20-38)37(42)30(35(41)44-29)16-25(6)33(43-8)34(37)40/h9-12,14,16,21-22,26,28-34,38-40,42H,13,15,17-20H2,1-8H3/b10-9+,23-12+,24-14+,27-11+/t22-,26-,28+,29-,30-,31-,32+,33+,34+,36-,37+/m0/s1
InChIKey	GNKPRZFHCQVTTB-BFOMYHFSSA-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)
	(1S,4R,4'S,5'S,6'S,7R,8R,9S,10E,12E,14R,16E,19R,21R)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one (CHEBI:220951) is a milbemycin (CHEBI:50345)

IUPAC Name
(1S,4R,4'S,5'S,6'S,7R,8R,9S,10E,12E,14R,16E,19R,21R)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one

Manual Xrefs	Databases
78441388	ChemSpider