13,14-dihydroxy-15-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-(2-methylpropyl)-5,9-dioxo-3-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]-2,6,10,16-tetraoxabicyclo[10.3.1]hexadecane-7-carboxylic acid (CHEBI:181360)

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CHEBI:181360 - 13,14-dihydroxy-15-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-(2-methylpropyl)-5,9-dioxo-3-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]-2,6,10,16-tetraoxabicyclo[10.3.1]hexadecane-7-carboxylic acid

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ChEBI ID	CHEBI:181360
ChEBI Name	13,14-dihydroxy-15-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-(2-methylpropyl)-5,9-dioxo-3-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]-2,6,10,16-tetraoxabicyclo[10.3.1]hexadecane-7-carboxylic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C40H48O21
Net Charge	0
Average Mass	864.803
Monoisotopic Mass	864.26881
SMILES	CC(C)CC1(C(=O)OCc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)CC(=O)OC(C(=O)O)CC(=O)OCC2OC(O1)C(OC(=O)/C=C/c1ccc(O)cc1)C(O)C2O
InChI	InChI=1S/C40H48O21/c1-19(2)14-40(39(53)55-17-21-5-10-23(11-6-21)56-37-34(50)32(48)30(46)25(16-41)58-37)15-29(45)57-24(36(51)52)13-28(44)54-18-26-31(47)33(49)35(38(59-26)61-40)60-27(43)12-7-20-3-8-22(42)9-4-20/h3-12,19,24-26,30-35,37-38,41-42,46-50H,13-18H2,1-2H3,(H,51,52)/b12-7+/t24?,25-,26?,30-,31?,32+,33?,34-,35?,37-,38?,40?/m1/s1
InChIKey	XRCPVTIMWPBGBZ-XPWGGUAHSA-N

ChEBI Ontology

Outgoing Relation(s)
	13,14-dihydroxy-15-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-(2-methylpropyl)-5,9-dioxo-3-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]-2,6,10,16-tetraoxabicyclo[10.3.1]hexadecane-7-carboxylic acid (CHEBI:181360) has functional parent hexacarboxylic acid (CHEBI:59359)
	13,14-dihydroxy-15-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-(2-methylpropyl)-5,9-dioxo-3-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]-2,6,10,16-tetraoxabicyclo[10.3.1]hexadecane-7-carboxylic acid (CHEBI:181360) is a organooxygen compound (CHEBI:36963)

IUPAC Name
13,14-dihydroxy-15-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-(2-methylpropyl)-5,9-dioxo-3-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]-2,6,10,16-tetraoxabicyclo[10.3.1]hexadecane-7-carboxylic acid

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