Met000617: Jaspofoliamoside B

Metabolite Information

Name

Jaspofoliamoside B

IUPAC Name

methyl (4S,5E,6S)-4-[2-[(2E,6E)-3,7-dimethyl-8-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyocta-2,6-dienoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate

Molecular Formula

C33H48O18

Molecular Weight

732.7

Exact Mass

732.2840647

SMILES

CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCC=C(C)CCC=C(C)C(=O)OC3C(C(C(C(O3)CO)O)O)O

InChIKey

QZONCTRJBZYIBQ-YBQXCKEVSA-N

InChI

InChI=1S/C33H48O18/c1-5-17-18(19(30(44)45-4)14-47-31(17)51-33-28(42)26(40)24(38)21(13-35)49-33)11-22(36)46-10-9-15(2)7-6-8-16(3)29(43)50-32-27(41)25(39)23(37)20(12-34)48-32/h5,8-9,14,18,20-21,23-28,31-35,37-42H,6-7,10-13H2,1-4H3/b15-9+,16-8+,17-5+/t18-,20+,21+,23+,24+,25-,26-,27+,28+,31-,32-,33-/m0/s1