(2R,3R,4S,5S,6R)-2-[[7-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-2-ethenyl-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CHEBI:93821)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:93821 - (2R,3R,4S,5S,6R)-2-[[7-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-2-ethenyl-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Take structure to advanced search

ChEBI ID	CHEBI:93821
ChEBI Name	(2R,3R,4S,5S,6R)-2-[[7-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-2-ethenyl-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Stars
Last Modified	3 March 2016
Downloads	Molfile

Formula	C31H50O11
Net Charge	0
Average Mass	598.730
Monoisotopic Mass	598.33531
SMILES	C=CC1(C)C=C2CCC3C(C)(C)C(O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)CCC3(C)C2CC1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI	InChI=1S/C31H50O11/c1-6-30(4)12-15-7-8-19-29(2,3)20(41-27-25(37)23(35)18(14-33)40-27)9-10-31(19,5)16(15)11-21(30)42-28-26(38)24(36)22(34)17(13-32)39-28/h6,12,16-28,32-38H,1,7-11,13-14H2,2-5H3/t16?,17-,18+,19?,20?,21?,22-,23+,24+,25-,26-,27+,28+,30?,31?/m1/s1
InChIKey	KOOFWUOQNYFDJY-KWFCYANNSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2R,3R,4S,5S,6R)-2-[[7-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-2-ethenyl-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CHEBI:93821) is a diterpene glycoside (CHEBI:71939)

Manual Xrefs	Databases
LSM-4357	LINCS