10-[[3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [3,4-dihydroxy-6-(hydroxymethyl)-5-[[3-hydroxy-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-2-oxanyl] ester (CHEBI:93809)

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CHEBI:93809 - 10-[[3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [3,4-dihydroxy-6-(hydroxymethyl)-5-[[3-hydroxy-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-2-oxanyl] ester

ChEBI ID	CHEBI:93809
ChEBI Name	10-[[3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [3,4-dihydroxy-6-(hydroxymethyl)-5-[[3-hydroxy-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-2-oxanyl] ester
Stars
Last Modified	3 March 2016
Downloads	Molfile

Formula	C63H102O29
Net Charge	0
Average Mass	1323.480
Monoisotopic Mass	1322.65068
SMILES	CC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(CO)C(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(OC7OCC(O)C(O)C7O)C6O)C(O)C5O)CCC34C)C2(C)C)C(O)C(O)C1OC1OCC(O)C(O)C1O
InChI	InChI=1S/C63H102O29/c1-25-48(89-51-42(74)36(68)28(66)22-81-51)40(72)45(77)54(84-25)88-35-12-13-60(6)33(59(35,4)5)11-14-62(8)34(60)10-9-26-27-19-58(2,3)15-17-63(27,18-16-61(26,62)7)57(80)92-56-46(78)41(73)49(31(21-65)86-56)90-53-47(79)50(91-52-43(75)37(69)29(67)23-82-52)32(24-83-53)87-55-44(76)39(71)38(70)30(20-64)85-55/h9,25,27-56,64-79H,10-24H2,1-8H3
InChIKey	YZWLELIIIVVKPT-UHFFFAOYSA-N

Roles Classification

Biological Role:

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)

10-[[3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [3,4-dihydroxy-6-(hydroxymethyl)-5-[[3-hydroxy-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-2-oxanyl] ester (CHEBI:93809) is a triterpenoid saponin (CHEBI:61778)

Manual Xrefs	Databases
LSM-4336	LINCS