β-D-glucosyl crocetin

Chemical Formula:

C₂₆H₃₃O₉

Molecular Weight:

489.541 Daltons

Monoisotopic Mass:

490.2202826903 Daltons

SMILES:

CC(C=CC=C(C)C(=O)[O-])=CC=CC=C(C)C=CC=C(C)C(=O)OC1(OC(C(C(C1O)O)O)CO)

InChI:

1S/C26H34O9/c1-16(11-7-13-18(3)24(31)32)9-5-6-10-17(2)12-8-14-19(4)25(33)35-26-23(30)22(29)21(28)20(15-27)34-26/h5-14,20-23,26-30H,15H2,1-4H3,(H,31,32)/p-1/b6-5+,11-7+,12-8+,16-9+,17-10+,18-13+,19-14+/t20-,21-,22+,23-,26+/m1/s1

InChIKey:

ZVGODNZUEWDIPM-YXRLTKITSA-M

Synonyms

crocetin monoglucosyl ester

Databases

MetaCyc: CPD-8663

ChEBI: 62766

PubChem (CID): 25245276

Seed: cpd21108

MetaNetX: MNXM2503

KEGG: C19867