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steviolbioside

Properties

Image

Occurences in reactions

MNX_ID

MNXM682992

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	0

formula

C₃₂H₄₉O₁₃

charge

-1

mass

641.731

reference

chebi:145009

InChIKey

OMHUCGDTACNQEX-OSHKXICASA-M

InChI

InChI=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

SMILES

[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

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Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:145009 chebi:145009	steviolbioside steviolbioside anion steviolbioside(1-)
seed.compound:cpd31782 seedM:cpd31782	13-O-beta-sophorosyl-steviol steviolbioside
hmdb:HMDB0036707	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:168399 chebi:168399	Steviobioside 13-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
CHEBI:145030 chebi:145030	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	steviolbioside 13-O-beta-sophorosyl-steviol
lipidmaps:LMPR01040122 lipidmapsM:LMPR01040122	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