(Q76726914)

English

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenoxy]oxane-2-carboxylic acid

chemical compound

In more languages

Statements

type of chemical entity

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chemical compound

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359.1216312519999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₅H₂₁NO₉

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canonical SMILES

CNCC(O)c1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c(O)c1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CNC[C@@H](C1=CC(=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O)O

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Identifiers

InChI=1S/C15H21NO9/c1-16-5-8(18)6-2-3-9(7(17)4-6)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h2-4,8,10-13,15-21H,5H2,1H3,(H,22,23)/t8-,10-,11-,12+,13-,15+/m0/s1

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BLTFFSZSAZRUSC-FYRJOLOESA-N

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CAS Registry Number

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CAS (formerly Chemical Abstracts Service)

25 January 2022

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matched by identifier from

BLTFFSZSAZRUSC-FYRJOLOESA-N

mapping relation type

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ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI=1S/C15H21NO9/c1-16-5-8(18)6-2-3-9(7(17)4-6)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h2-4,8,10-13,15-21H,5H2,1H3,(H,22,23)/t8-,10-,11-,12+,13-,15+/m0/s1

UniChem compound ID

1 reference

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

BLTFFSZSAZRUSC-FYRJOLOESA-N

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