Search MNXref
 Feedback

(2b,3b)-Dihydroxy-30-nor-12,20(29)-oleanadiene-28-glucopyranosyloxy-23-oic acid 3-glucuronide

PropertiesImage
MNX_IDMNXM114960 Image of MNXM114960
referencechebi:192392
formulaC41H60O17
global charge0
mol weight824.914
InChIKeyUDJQXYVUQBGNDM-UHFFFAOYSA-N
InChIInChI=1S/C41H60O17/c1-17-8-11-41(36(54)58-33-28(48)25(45)24(44)21(16-42)55-33)13-12-38(3)18(19(41)14-17)6-7-22-37(2)15-20(43)31(40(5,35(52)53)23(37)9-10-39(22,38)4)57-34-29(49)26(46)27(47)30(56-34)32(50)51/h6,19-31,33-34,42-49H,1,7-16H2,2-5H3,(H,50,51)(H,52,53)
SMILESC=C1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC43C)C2C1
MNX internals
InChI (mnx)InChI=1/C41H60O17/c1-17-8-11-41(36(54)58-33-28(48)25(45)24(44)21(16-42)55-33)13-12-38(3)18(19(41)14-17)6-7-22-37(2)15-20(43)31(40(5,35(52)53)23(37)9-10-39(22,38)4)57-34-29(49)26(46)27(47)30(56-34)32(50)51/h6,19-31,33-34,42-49H,1,7-16H2,2-5H3,(H,50,51)(H,52,53)/t19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,33?,34?,37?,38?,39?,40?,41? Image of MNXM114960
SMILES (mnx)[CH2:1]=[C:17]1[CH2:8][CH2:11][C:41]2([C:36](=[O:54])[O:58][CH:33]3[CH:28]([OH:48])[CH:25]([OH:45])[CH:24]([OH:44])[CH:21]([CH2:16][OH:42])[O:55]3)[CH2:13][CH2:12][C:38]3([CH3:3])[C:18](=[CH:6][CH2:7][CH:22]4[C:37]5([CH3:2])[CH2:15][CH:20]([OH:43])[CH:31]([O:57][CH:34]6[CH:29]([OH:49])[CH:26]([OH:46])[CH:27]([OH:47])[CH:30]([C:32](=[O:50])[OH:51])[O:56]6)[C:40]([CH3:5])([C:35](=[O:52])[OH:53])[CH:23]5[CH2:9][CH2:10][C:39]43[CH3:4])[CH:19]2[CH2:14]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:192392
chebi:192392
UDJQXYVUQBGNDM-UHFFFAOYSA-N 		(2b,3b)-Dihydroxy-30-nor-12,20(29)-oleanadiene-28-glucopyranosyloxy-23-oic acid 3-glucuronide
6-[[4-carboxy-2-hydroxy-4,6a,6b,14b-tetramethyl-11-methylidene-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
hmdb:HMDB0034875
UDJQXYVUQBGNDM-UHFFFAOYSA-N 		(2b,3b)-Dihydroxy-30-nor-12,20(29)-oleanadiene-28-glucopyranosyloxy-23-oic acid 3-glucuronide
(2b,3b)-Dihydroxy-30-nor-12,20(29)-oleanadiene-28-glucopyranosyloxy-23-Oate 3-glucuronide
6-{[4-carboxy-2-hydroxy-4,6a,6b,14b-tetramethyl-11-methylidene-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylate
6-{[4-carboxy-2-hydroxy-4,6a,6b,14b-tetramethyl-11-methylidene-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
6-{[4-carboxy-2-hydroxy-4,6a,6b,14b-tetramethyl-11-methylidene-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

hmdb:HMDB34875 		secondary/obsolete/fantasy identifier