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28-Glucosylpomolate

PropertiesImage
MNX_IDMNXM117106 Image of MNXM117106
referencechebi:176266
formulaC36H58O9
global charge0
mol weight634.851
InChIKeyRRIMLWHUVCZACL-UHFFFAOYSA-N
InChIInChI=1S/C36H58O9/c1-19-10-15-36(30(42)45-29-27(41)26(40)25(39)21(18-37)44-29)17-16-33(5)20(28(36)35(19,7)43)8-9-23-32(4)13-12-24(38)31(2,3)22(32)11-14-34(23,33)6/h8,19,21-29,37-41,43H,9-18H2,1-7H3
SMILESCC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1(C)O
MNX internals
InChI (mnx)InChI=1/C36H58O9/c1-19-10-15-36(30(42)45-29-27(41)26(40)25(39)21(18-37)44-29)17-16-33(5)20(28(36)35(19,7)43)8-9-23-32(4)13-12-24(38)31(2,3)22(32)11-14-34(23,33)6/h8,19,21-29,37-41,43H,9-18H2,1-7H3/t19?,21?,22?,23?,24?,25?,26?,27?,28?,29?,32?,33?,34?,35?,36? Image of MNXM117106
SMILES (mnx)[CH3:1][CH:19]1[CH2:10][CH2:15][C:36]2([C:30](=[O:42])[O:45][CH:29]3[CH:27]([OH:41])[CH:26]([OH:40])[CH:25]([OH:39])[CH:21]([CH2:18][OH:37])[O:44]3)[CH2:17][CH2:16][C:33]3([CH3:5])[C:20](=[CH:8][CH2:9][CH:23]4[C:32]5([CH3:4])[CH2:13][CH2:12][CH:24]([OH:38])[C:31]([CH3:2])([CH3:3])[CH:22]5[CH2:11][CH2:14][C:34]43[CH3:6])[CH:28]2[C:35]1([CH3:7])[OH:43]
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:176266
chebi:176266
RRIMLWHUVCZACL-UHFFFAOYSA-N 		28-Glucosylpomolate
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
hmdb:HMDB0038452
RRIMLWHUVCZACL-UHFFFAOYSA-N 		28-Glucosylpomolate
28-Glucosylpomolic acid
3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl 1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

hmdb:HMDB38452 		secondary/obsolete/fantasy identifier