[6-[[(6S,7R)-7-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-4,10-dihydroxy-6-[5-hydroxy-4-[5-hydroxy-4-(4-hydroxy-4,5,6-trimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-4-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-2-methyloxan-3-yl] acetate (CHEBI:94324)

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CHEBI:94324 - [6-[[(6S,7R)-7-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-4,10-dihydroxy-6-[5-hydroxy-4-[5-hydroxy-4-(4-hydroxy-4,5,6-trimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-4-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-2-methyloxan-3-yl] acetate

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ChEBI ID	CHEBI:94324
ChEBI Name	[6-[[(6S,7R)-7-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-4,10-dihydroxy-6-[5-hydroxy-4-[5-hydroxy-4-(4-hydroxy-4,5,6-trimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-4-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-2-methyloxan-3-yl] acetate
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Downloads	Molfile

Formula	C56H82O24
Net Charge	0
Average Mass	1139.248
Monoisotopic Mass	1138.51960
SMILES	COC1C(O)CC(OC2CC(Oc3cc4cc5c(c(O)c4c(O)c3C)C(=O)[C@@H](OC3CC(OC4CC(OC6CC(C)(O)C(C)C(C)O6)C(O)C(C)O4)C(O)C(C)O3)[C@@H]([C@H](OC)C(=O)[C@@H](O)[C@@H](C)O)C5)OC(C)C2OC(C)=O)OC1C
WURCS	WURCS=2.0/4,4,3/[adxxxm-1x_1-5_4OCC/3=O][adxxxm-1x_1-5][adxxxm-1x_1-5_3OC^XCC^XC^XC^XO$3/7C/6C/5C/5O][adxxxm-1x_1-5_4OC]/1-2-3-4/a1n1-b1n21O(CCCCCCCC$5/6CC$3/12)C(/11)O(/9)CC^RC^SCC^SC^RC/20O/19O/18=O/17OC/16C^SO*2/27C($8/7)O/30=O_a3-d1_b3-c1
InChI	InChI=1S/C56H82O24/c1-21-34(76-40-19-37(53(28(8)74-40)75-29(9)58)79-38-16-33(59)52(68-11)27(7)73-38)15-31-13-30-14-32(54(69-12)51(66)46(61)23(3)57)55(50(65)44(30)49(64)43(31)45(21)60)80-41-18-35(47(62)26(6)72-41)77-39-17-36(48(63)25(5)71-39)78-42-20-56(10,67)22(2)24(4)70-42/h13,15,22-28,32-33,35-42,46-48,52-55,57,59-64,67H,14,16-20H2,1-12H3/t22?,23-,24?,25?,26?,27?,28?,32-,33?,35?,36?,37?,38?,39?,40?,41?,42?,46+,47?,48?,52?,53?,54+,55+,56?/m1/s1
InChIKey	LNGHEQSPMNWBCU-RUGPHKIXSA-N

ChEBI Ontology

Outgoing Relation(s)
	[6-[[(6S,7R)-7-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-4,10-dihydroxy-6-[5-hydroxy-4-[5-hydroxy-4-(4-hydroxy-4,5,6-trimethyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-4-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-2-methyloxan-3-yl] acetate (CHEBI:94324) is a oligosaccharide (CHEBI:50699)

Manual Xrefs	Databases
LSM-4968	LINCS