luteolin 7-O-neohesperidoside

Chemical Formula:

C₂₇H₃₀O₁₅

Molecular Weight:

594.525 Daltons

Monoisotopic Mass:

594.1584702945 Daltons

SMILES:

CC5(OC(OC1(C(C(C(CO)OC1OC4(C=C3(C(C(C=C(C2(=CC=C(C(=C2)O)O))O3)=O)=C(C=4)O)))O)O))C(C(C5O)O)O)

InChI:

1S/C27H30O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-7,9,18,20-31,33-37H,8H2,1H3/t9-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1

InChIKey:

SHPPXMGVUDNKLV-KMFFXDMSSA-N

Synonyms

luteolin-7-rutinoside

Databases

MetaCyc: LUTEOLIN-7-O-NEOHESPERIDOSIDE

PubChem (CID): 5282152

MetaboLights: MTBLC31788

HMDB: HMDB05799

ChEBI: 31788

KEGG: C12630

Seed: cpd09261

MetaNetX: MNXM8849