glycyrrhetinate (Q27102463)

3alpha-hydroxyglycyrrhetinate

AC1OAGGT (English)

5 October 2016

0 references

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₅O₄⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)[O-])C)C)C)C

1 reference

AC1OAGGT (English)

5 October 2016

C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)[O-]

1 reference

InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/p-1/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1

AC1OAGGT (English)

retrieved

5 October 2016

Identifiers

InChI

1 reference

MPDGHEJMBKOTSU-YKLVYJNSSA-M

AC1OAGGT (English)

5 October 2016

2 references

AC1OAGGT (English)

5 October 2016

ChEBI release 2020-09-01

0 references

1 reference

(3beta)-3-Hydroxy-11-oxoolean-12-en-30-oate (English)

5 October 2016

2 references

matched by identifier from

AC1OAGGT (English)

retrieved

5 October 2016

InChIKey

MPDGHEJMBKOTSU-YKLVYJNSSA-M

ChEBI ID

17573

mapping relation type

2 references