(15S,16Z,17S)-16-ethylidene-4-hydroxy-15-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,10,14,20-tetraoxatetracyclo[21.2.2.13,7.012,17]octacosa-1(25),3,5,7(28),12,23,26-heptaene-11,19-dione (CHEBI:182741)

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CHEBI:182741 - (15S,16Z,17S)-16-ethylidene-4-hydroxy-15-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,10,14,20-tetraoxatetracyclo[21.2.2.13,7.012,17]octacosa-1(25),3,5,7(28),12,23,26-heptaene-11,19-dione

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ChEBI ID	CHEBI:182741
ChEBI Name	(15S,16Z,17S)-16-ethylidene-4-hydroxy-15-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,10,14,20-tetraoxatetracyclo[21.2.2.13,7.012,17]octacosa-1(25),3,5,7(28),12,23,26-heptaene-11,19-dione
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H36O13
Net Charge	0
Average Mass	628.627
Monoisotopic Mass	628.21559
SMILES	[H][C@@]12CC(=O)OCCc3ccc(cc3)Oc3cc(ccc3O)CCOC(=O)C1=CO[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)/C2=C\C
InChI	InChI=1S/C32H36O13/c1-2-20-21-14-26(35)40-11-9-17-3-6-19(7-4-17)43-24-13-18(5-8-23(24)34)10-12-41-30(39)22(21)16-42-31(20)45-32-29(38)28(37)27(36)25(15-33)44-32/h2-8,13,16,21,25,27-29,31-34,36-38H,9-12,14-15H2,1H3/b20-2-/t21-,25+,27+,28-,29+,31-,32-/m0/s1
InChIKey	YRQNFHSTTZXQBU-HTVHDVGDSA-N

ChEBI Ontology

Outgoing Relation(s)
	(15S,16Z,17S)-16-ethylidene-4-hydroxy-15-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,10,14,20-tetraoxatetracyclo[21.2.2.13,7.012,17]octacosa-1(25),3,5,7(28),12,23,26-heptaene-11,19-dione (CHEBI:182741) is a macrolide (CHEBI:25106)

IUPAC Name
(15S,16Z,17S)-16-ethylidene-4-hydroxy-15-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,10,14,20-tetraoxatetracyclo[21.2.2.13,7.012,17]octacosa-1(25),3,5,7(28),12,23,26-heptaene-11,19-dione

Manual Xrefs	Databases
22913661	ChemSpider