(Q27166202)

BRD-A33973768-004-01-0 (English)

9 October 2016

chemical formula

C₁₇H₂₁NO₅

1 reference

BRD-A33973768-004-01-0 (English)

9 October 2016

canonical SMILES

C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)[O-]

1 reference

BRD-A33973768-004-01-0 (English)

9 October 2016

isomeric SMILES

C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)[O-]

1 reference

BRD-A33973768-004-01-0 (English)

InChI=1S/C17H21NO5/c1-18(21)13-7-11(8-14(18)16-15(13)23-16)22-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11?,12-,13-,14+,15+,16+,18?/m1/s1

9 October 2016

Identifiers

InChI

1 reference

BRD-A33973768-004-01-0 (English)

GSYQNAMOFFWAPF-UORVEELQSA-N

9 October 2016

InChIKey

2 references

BRD-A33973768-004-01-0 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

BRD-A33973768-004-01-0 (English)

9 October 2016

ChEBI ID

94364

mapping relation type

1 reference