(Q27131905)

CHEBI:62446 (English)

7 October 2016

chemical formula

C₃₆H₅₅O₉⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(=O)C1)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)[O-])O)O)O)C)C

1 reference

CHEBI:62446 (English)

7 October 2016

isomeric SMILES

C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5=O)(C)C)C)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)[O-])O)O)O

1 reference

CHEBI:62446 (English)

InChI=1S/C36H56O9/c1-31(2)16-20-19-8-9-22-33(4)12-11-24(44-30-27(41)25(39)26(40)28(45-30)29(42)43)34(5,18-37)21(33)10-13-36(22,7)35(19,6)15-14-32(20,3)23(38)17-31/h8,20-22,24-28,30,37,39-41H,9-18H2,1-7H3,(H,42,43)/p-1/t20-,21+,22+,24-,25-,26-,27+,28-,30+,32+,33-,34+,35+,36+/m0/s1

7 October 2016

Identifiers

InChI

1 reference

CHEBI:62446 (English)

CBJRVPYJFXDQDY-YHYIZMBSSA-M

7 October 2016

InChIKey

2 references

CHEBI:62446 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

soyasapogenol E 3-O-beta-glucuronate (English)

7 October 2016

1 reference

CHEBI:62446 (English)

7 October 2016

ChEBI ID

62446

mapping relation type

1 reference