Feedback

soyasaponin III

MNXM2729 is deprecated and here replaced by MNXM733348
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM733348

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	2

formula

C₄₂H₆₇O₁₄

charge

-1

mass

795.45363

reference

chebi:62911

InChIKey

OKIHRVKXRCAJFQ-AHBDIROXSA-M

InChI

InChI=1S/C42H68O14/c1-37(2)16-21-20-8-9-24-39(4)12-11-26(40(5,19-44)23(39)10-13-42(24,7)41(20,6)15-14-38(21,3)25(45)17-37)54-36-33(30(49)29(48)32(55-36)34(51)52)56-35-31(50)28(47)27(46)22(18-43)53-35/h8,21-33,35-36,43-50H,9-19H2,1-7H3,(H,51,52)/p-1/t21-,22+,23+,24+,25+,26-,27-,28-,29-,30-,31+,32-,33+,35-,36+,38+,39-,40+,41+,42+/m0/s1

SMILES

CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@H](O)C1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62911 chebi:62911	soyasaponin III soyasaponin III(1-)
kegg.compound:C19865 keggC:C19865	Soyasaponin III
seed.compound:cpd21106 seedM:cpd21106	Soyasaponin III (3beta,4beta,21alpha)-21,23-dihydroxyolean-12-en-3-yl (2-O-beta-D-galactopyranosyl)-beta-D-glucopyranosiduronate soyasaponin III
CHEBI:62867 chebi:62867	soyasaponin III (3beta,22beta)-22,24-dihydroxyolean-12-en-3-yl 2-O-beta-D-galactopyranosyl-beta-D-glucopyranosiduronic acid (3beta,4beta,21alpha)-21,23-dihydroxyolean-12-en-3-yl-2-O-beta-D-galactopyranosyl-beta-D-Glucopyranosiduronic acid
metacyc.compound:CPD-13254 metacycM:CPD-13254	soyasaponin III (3beta,4beta,21alpha)-21,23-dihydroxyolean-12-en-3-yl (2-O-beta-D-galactopyranosyl)-beta-D-glucopyranosiduronate
keggC:M_C19865 seedM:M_cpd21106	secondary/obsolete/fantasy identifier