narirutin

Chemical Formula:

C₂₇H₃₂O₁₄

Molecular Weight:

580.541 Daltons

Monoisotopic Mass:

580.1792057366 Daltons

SMILES:

CC1(OC(C(O)C(O)C(O)1)OCC2(C(O)C(O)C(O)C(O2)OC5(C=C(O)C4(C(=O)CC(C3(=CC=C(O)C=C3))OC=4C=5))))

InChI:

1S/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1

InChIKey:

HXTFHSYLYXVTHC-AJHDJQPGSA-N

Synonyms

naringenin-7-O-rutinoside

Databases

MetaCyc: CPD-7059

PubChem (CID): 442431

MetaboLights: MTBLC28705

HMDB: HMDB33740

LIPID MAPS: LMPK12140236

ChEBI: 28705

KEGG: C09793

Seed: cpd06685

MetaNetX: MNXM64262