glucotropaeolin

Chemical Formula:

C₁₄H₁₈NO₉S₂

Molecular Weight:

408.417 Daltons

Monoisotopic Mass:

409.0501225940001 Daltons

SMILES:

C(O)C2(C(O)C(O)C(O)C(SC(CC1(=CC=CC=C1))=NOS(=O)(=O)[O-])O2)

InChI:

1S/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22)/p-1/b15-10-/t9-,11-,12+,13-,14+/m1/s1

InChIKey:

QQGLQYQXUKHWPX-RFEZBLSLSA-M

Synonyms

glucotropeolin

Databases

MetaCyc: GLUCOTROPEOLIN

PubChem (CID): 21600402

ChEBI: 58021

HMDB: HMDB38419

KEGG: C02153

CAS: 499-26-3

Seed: cpd01457

MetaNetX: MNXM3611