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steviolbioside

MNXM97341 is deprecated and here replaced by MNXM1370773
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370773 Image of MNXM1370773
referencechebi:145009
formulaC32H49O13
global charge-1
mol weight641.731
InChIKeyOMHUCGDTACNQEX-OSHKXICASA-M
InChIInChI=1S/C32H50O13/c1-15-11-31-9-5-18-29(2,7-4-8-30(18,3)28(40)41)19(31)6-10-32(15,14-31)45-27-25(23(38)21(36)17(13-34)43-27)44-26-24(39)22(37)20(35)16(12-33)42-26/h16-27,33-39H,1,4-14H2,2-3H3,(H,40,41)/p-1/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]2CC[C@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[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(40)41)19(31)6-10-32(15,14-31)45-27-25(23(38)21(36)17(13-34)43-27)44-26-24(39)22(37)20(35)16(12-33)42-26/h16-27,33-39H,1,4-14H2,2-3H3,(H,40,41)/t16-,17-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,29-,30-,31-,32+/m1/s1 Image of MNXM1370773
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:40])[OH:41])[C@@H:19]2[CH2:6][CH2:10][C@:32]1([O:45][C@H:27]1[C@H:25]([O:44][C@H:26]2[C@H:24]([OH:39])[C@@H:22]([OH:37])[C@H:20]([OH:35])[C@@H:16]([CH2:12][OH:33])[O:42]2)[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:145009
chebi:145009
OMHUCGDTACNQEX-OSHKXICASA-M 		steviolbioside
steviolbioside anion
steviolbioside(1-)

seed.compound:cpd31782
seedM:cpd31782
OMHUCGDTACNQEX-OSHKXICASA-M 		13-O-beta-sophorosyl-steviol
steviolbioside
hmdb:HMDB0036707
OMHUCGDTACNQEX-OSHKXICASA-N 		Steviobioside
(-)-Steviolbioside
(1R,4S,5R,9S,10R,13S)-13-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylic acid
(4alpha)-13-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]kaur-16-en-18-Oic acid
(4alpha)-13-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]kaur-16-en-18-Oic acid
Steviol-1,2-bioside
Steviolbioside

CHEBI:145030
chebi:145030
OMHUCGDTACNQEX-OSHKXICASA-N 		steviolbioside
(-)-steviolbioside
13alpha-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5beta,8alpha,9beta,10alpha-kaur-16-en-18-oic acid

metacyc.compound:CPD-14503
metacycM:CPD-14503
OMHUCGDTACNQEX-OSHKXICASA-M 		steviolbioside
13-O-beta-sophorosyl-steviol

lipidmaps:LMPR01040122
lipidmapsM:LMPR01040122
OMHUCGDTACNQEX-OSHKXICASA-N 		steviolbioside
13-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-kaur-16-en-18-oic acid

hmdb:HMDB36707
seedM:M_cpd31782 		secondary/obsolete/fantasy identifier