(Q27148112)

monacolin L acid (English)

8 October 2016

chemical formula

C₁₉H₂₉O₄⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1CCC2C(C(C=CC2=C1)C)CCC(CC(CC(=O)[O-])O)O

1 reference

monacolin L acid (English)

8 October 2016

isomeric SMILES

C[C@@H]1CC[C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@H](C[C@H](CC(=O)[O-])O)O

1 reference

monacolin L acid (English)

InChI=1S/C19H30O4/c1-12-3-7-18-14(9-12)5-4-13(2)17(18)8-6-15(20)10-16(21)11-19(22)23/h4-5,9,12-13,15-18,20-21H,3,6-8,10-11H2,1-2H3,(H,22,23)/p-1/t12-,13+,15-,16-,17+,18+/m1/s1

8 October 2016

Identifiers

InChI

1 reference

monacolin L acid (English)

RPDSFBJYUHLDNI-MHMDBQTNSA-M

8 October 2016

InChIKey

2 references

monacolin L acid (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3R,5R)-7-[(1S,2S,6R,8aR)-2,6-Dimethyl-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]-3,5-dihydroxyheptanoate (English)

8 October 2016

2 references

monacolin L acid (English)

matched by identifier from

8 October 2016

InChIKey

RPDSFBJYUHLDNI-MHMDBQTNSA-M

Reaxys registry number

21537503

1 reference

monacolin L carboxylate (English)

8 October 2016

ChEBI ID

79044

mapping relation type

2 references

monacolin L carboxylate (English)