rutin

Chemical Formula:

C₂₇H₃₀O₁₆

Molecular Weight:

610.524 Daltons

Monoisotopic Mass:

610.1533849166 Daltons

SMILES:

CC1(C(O)C(O)C(O)C(O1)OCC2(C(O)C(O)C(O)C(O2)OC4(=C(C3(C=C(O)C(O)=CC=3))OC5(=C(C(=O)4)C(O)=CC(O)=C5))))

InChI:

1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1

InChIKey:

IKGXIBQEEMLURG-NVPNHPEKSA-N

Synonyms

hydroxyethylrutoside
quercetin 3-O-rutinoside
quercetin 3-O-[α-L-rhamnosyl-(1->6)-β-D-glucoside]
sophorin

Databases

MetaCyc: RUTIN

MetaboLights: MTBLC28527

HMDB: HMDB03249

DRUGBANK: DB01698

ChemSpider: 4444362

PubChem (CID): 5280805

ChEBI: 28527

KEGG: C05625

CAS: 153-18-4

RefMet: Rutin

Seed: cpd03341

MetaNetX: MNXM5921