validoxylamine A

Chemical Formula:

C₁₄H₂₆NO₈

Molecular Weight:

336.361 Daltons

Monoisotopic Mass:

336.1658418166 Daltons

SMILES:

C(C1(C(C(C(C(C=1)[N+]C2(C(C(C(C(C2)CO)O)O)O))O)O)O))O

InChI:

1S/C14H25NO8/c16-3-5-1-7(11(20)13(22)9(5)18)15-8-2-6(4-17)10(19)14(23)12(8)21/h1,6-23H,2-4H2/p+1/t6-,7+,8+,9-,10-,11+,12+,13+,14+/m1/s1

InChIKey:

YCJYNBLLJHFIIW-MBABXGOBSA-O

Synonyms

(1S,2S,3R,6S)-4-(hydroxymethyl)-6-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol

Databases

MetaCyc: CPD-9669

ChEBI: 111505

PubChem (CID): 72199331

ChemSpider: 9625330

Seed: cpd25783

MetaNetX: MNXM13249

KEGG: C17700