(2S,3S,4S,5R)-6-[4-(2-aminoethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid (Q27215768)

BRD-A20958854-001-01-7 (English)

11 October 2016

chemical formula

C₁₄H₁₉NO₈

1 reference

BRD-A20958854-001-01-7 (English)

11 October 2016

canonical SMILES

C1=CC(=C(C=C1CCN)O)OC2C(C(C(C(O2)C(=O)O)O)O)O

1 reference

BRD-A20958854-001-01-7 (English)

11 October 2016

isomeric SMILES

C1=CC(=C(C=C1CCN)O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O

1 reference

BRD-A20958854-001-01-7 (English)

InChI=1S/C14H19NO8/c15-4-3-6-1-2-8(7(16)5-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-2,5,9-12,14,16-19H,3-4,15H2,(H,20,21)/t9-,10-,11+,12-,14?/m0/s1

11 October 2016

Identifiers

InChI

1 reference

BRD-A20958854-001-01-7 (English)

CQASRCDNLNMIJY-ZAOAHOKWSA-N

11 October 2016

InChIKey

2 references

BRD-A20958854-001-01-7 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-A20958854-001-01-7 (English)

matched by identifier from

11 October 2016

InChIKey

CQASRCDNLNMIJY-ZAOAHOKWSA-N

ChEBI ID

125376

mapping relation type

2 references

(2S,3S,4S,5R)-6-[4-(2-aminoethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid (English)