13-[O(2')-β-D-glucopyranosyl-β-D-glucopyranosyloxy]docosanoate O(6'')-acetate

Chemical Formula:

C₃₆H₆₅O₁₄

Molecular Weight:

721.901 Daltons

Monoisotopic Mass:

722.445256828 Daltons

SMILES:

CCCCCCCCCC(CCCCCCCCCCCC(=O)[O-])OC1(OC(C(C(C1OC2(OC(C(C(C2O)O)O)COC(C)=O))O)O)CO)

InChI:

1S/C36H66O14/c1-3-4-5-6-10-13-16-19-25(20-17-14-11-8-7-9-12-15-18-21-28(39)40)47-36-34(32(44)29(41)26(22-37)48-36)50-35-33(45)31(43)30(42)27(49-35)23-46-24(2)38/h25-27,29-37,41-45H,3-23H2,1-2H3,(H,39,40)/p-1/t25?,26-,27-,29-,30-,31+,32+,33-,34-,35+,36-/m1/s1

InChIKey:

DYDPBEMJTPLKEJ-BNKHDULBSA-M

Databases

MetaCyc: DIGLUCOACETYL-DOCOSANOATE

PubChem (CID): 25246114

Seed: cpd26860

MetaNetX: MNXM6639