Search MNXref
 Feedback

rubusoside

MNXM97340 is deprecated and replaced by MNXM819972
PropertiesImage
MNX_IDMNXM819972 Image of MNXM819972
referencechebi:145021
formulaC32H50O13
global charge0
mol weight642.739
InChIKeyYWPVROCHNBYFTP-OSHKXICASA-N
InChIInChI=1S/C32H50O13/c1-15-11-31-9-5-18-29(2,7-4-8-30(18,3)28(41)44-26-24(39)22(37)20(35)16(12-33)42-26)19(31)6-10-32(15,14-31)45-27-25(40)23(38)21(36)17(13-34)43-27/h16-27,33-40H,1,4-14H2,2-3H3/t16-,17-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,29-,30-,31-,32+/m1/s1
SMILESC=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]2CC[C@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C3
MNX internals
InChI (mnx)InChI=1/C32H50O13/c1-15-11-31-9-5-18-29(2,7-4-8-30(18,3)28(41)44-26-24(39)22(37)20(35)16(12-33)42-26)19(31)6-10-32(15,14-31)45-27-25(40)23(38)21(36)17(13-34)43-27/h16-27,33-40H,1,4-14H2,2-3H3/t16-,17-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,29-,30-,31-,32+/m1/s1 Image of MNXM819972
SMILES (mnx)[CH2:1]=[C:15]1[CH2:11][C@@:31]23[CH2:9][CH2:5][C@H:18]4[C@@:29]([CH3:2])([CH2:7][CH2:4][CH2:8][C@@:30]4([CH3:3])[C:28](=[O:41])[O:44][C@H:26]4[C@H:24]([OH:39])[C@@H:22]([OH:37])[C@H:20]([OH:35])[C@@H:16]([CH2:12][OH:33])[O:42]4)[C@@H:19]2[CH2:6][CH2:10][C@:32]1([O:45][C@H:27]1[C@H:25]([OH:40])[C@@H:23]([OH:38])[C@H:21]([OH:36])[C@@H:17]([CH2:13][OH:34])[O:43]1)[CH2:14]3
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:145021
chebi:145021
YWPVROCHNBYFTP-OSHKXICASA-N 		rubusoside
1-O-[13alpha-(beta-D-glucopyranosyloxy)-18-oxo-5beta,8alpha,9beta,10alpha-kaur-16-en-18-yl]-beta-D-glucopyranose

seed.compound:cpd35661
seedM:cpd35661
YWPVROCHNBYFTP-OSHKXICASA-N 		1-o-[(5
A)-13-(
A,10
A,13
A,9
A-d-glucopyranose
A-d-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-
rubusoside

metacyc.compound:CPD-14505
metacycM:CPD-14505
YWPVROCHNBYFTP-OSHKXICASA-N 		rubusoside
1-o-[(5|A,9|A,10|A,13|A)-13-(|A-d-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-|A-d-glucopyranose

seedM:M_cpd35661 		secondary/obsolete/fantasy identifier