Search MNXref
 Feedback

Araliasaponin III

PropertiesImage
MNX_IDMNXM119283 Image of MNXM119283
referencechebi:230845
formulaC53H86O23
global charge0
mol weight1091.248
InChIKeyAHEWVDSAOCOLCK-UHFFFAOYSA-N
InChIInChI=1S/C53H86O23/c1-48(2)14-15-53(47(68)76-45-38(65)36(63)33(60)26(19-55)71-45)23(16-48)22-8-9-29-50(5)12-11-31(49(3,4)28(50)10-13-51(29,6)52(22,7)17-30(53)58)73-43-39(66)41(24(57)21-69-43)74-46-40(67)42(34(61)27(20-56)72-46)75-44-37(64)35(62)32(59)25(18-54)70-44/h8,23-46,54-67H,9-21H2,1-7H3
SMILESCC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C6O)C(C)(C)C5CCC43C)C2C1
MNX internals
InChI (mnx)InChI=1/C53H86O23/c1-48(2)14-15-53(47(68)76-45-38(65)36(63)33(60)26(19-55)71-45)23(16-48)22-8-9-29-50(5)12-11-31(49(3,4)28(50)10-13-51(29,6)52(22,7)17-30(53)58)73-43-39(66)41(24(57)21-69-43)74-46-40(67)42(34(61)27(20-56)72-46)75-44-37(64)35(62)32(59)25(18-54)70-44/h8,23-46,54-67H,9-21H2,1-7H3/t23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,50?,51?,52?,53? Image of MNXM119283
SMILES (mnx)[CH3:1][C:48]1([CH3:2])[CH2:14][CH2:15][C:53]2([C:47](=[O:68])[O:76][CH:45]3[CH:38]([OH:65])[CH:36]([OH:63])[CH:33]([OH:60])[CH:26]([CH2:19][OH:55])[O:71]3)[CH:23]([CH2:16]1)[C:22]1=[CH:8][CH2:9][CH:29]3[C:50]4([CH3:5])[CH2:12][CH2:11][CH:31]([O:73][CH:43]5[CH:39]([OH:66])[CH:41]([O:74][CH:46]6[CH:40]([OH:67])[CH:42]([O:75][CH:44]7[CH:37]([OH:64])[CH:35]([OH:62])[CH:32]([OH:59])[CH:25]([CH2:18][OH:54])[O:70]7)[CH:34]([OH:61])[CH:27]([CH2:20][OH:56])[O:72]6)[CH:24]([OH:57])[CH2:21][O:69]5)[C:49]([CH3:3])([CH3:4])[CH:28]4[CH2:10][CH2:13][C:51]3([CH3:6])[C:52]1([CH3:7])[CH2:17][CH:30]2[OH:58]
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:230845
chebi:230845
AHEWVDSAOCOLCK-UHFFFAOYSA-N 		Araliasaponin III
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 10-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
hmdb:HMDB0036477
AHEWVDSAOCOLCK-UHFFFAOYSA-N 		Araliasaponin III
(-)-Araliasaponin III (aralia elata)
3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-[(4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl)oxy]-5-hydroxy-2,2,6a,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 10-[(4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl)oxy]-5-hydroxy-2,2,6a,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 10-[(4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl)oxy]-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate
Araliasaponin III (aralia elata)

hmdb:HMDB36477 		secondary/obsolete/fantasy identifier