Met004569: Taxumairol Y
Metabolite Information
Name
Taxumairol Y
IUPAC Name
[(1S,2S,4S,7R,8R,9S,10S,12S,13S,16R)-4,8-diacetyloxy-7,12,13-trihydroxy-2-(2-hydroxypropan-2-yl)-5,9-dimethyl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-5-en-10-yl] acetate
Molecular Formula
C26H38O11
Molecular Weight
526.6
Exact Mass
526.241412
SMILES
CC1=C2C(C(C3(C(CC(C4(C3C(C2(CC1OC(=O)C)C(C)(C)O)OC4)O)O)OC(=O)C)C)OC(=O)C)O
InChIKey
QUOOCJSOEHOSCS-FFJMLDSGSA-N
InChI
InChI=1S/C26H38O11/c1-11-15(35-12(2)27)9-25(23(5,6)32)18(11)19(31)21(37-14(4)29)24(7)17(36-13(3)28)8-16(30)26(33)10-34-22(25)20(24)26/h15-17,19-22,30-33H,8-10H2,1-7H3/t15-,16-,17-,19+,20-,21-,22-,24+,25-,26-/m0/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Lipids and lipid-like molecules
Class:
Prenol lipids
Subclass:
Sesquiterpenoids
Crops containing this metabolite
adzuki_bean
cauliflower
chestnut
mung_bean
turnip
cauliflower
chestnut
mung_bean
turnip
Metabolite Spectrum Accession Label