Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 08:58:33 UTC
Update Date2022-08-31 06:44:31 UTC
Metabolite IDMMDBc0018817
Metabolite Identification
Common NameRhizoxin M1
DescriptionRhizoxin M1 belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. Based on a literature review very few articles have been published on Rhizoxin M1.
Structure
SynonymsNot Available
Molecular FormulaC35H49NO9
Average Mass627.775
Monoisotopic Mass627.340732162
IUPAC Namemethyl 2-[(2S,7Z,10R,13R,14Z,16R)-2,12-dihydroxy-4-[(2R,3R,4E,6E,8E)-3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetate
Traditional Namemethyl [(2S,7Z,10R,13R,14Z,16R)-2,12-dihydroxy-4-[(2R,3R,4E,6E,8E)-3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetate
CAS Registry NumberNot Available
SMILES
[H]/C(=C(/[H])\C(\C)=C(/[H])C1=COC(C)=N1)/C(/[H])=C(\C)[C@]([H])(O)[C@@]([H])(C)C1([H])C[C@]([H])(O)C2(C)O[C@]2([H])\C([H])=C([H])/[C@@]([H])(C)C([H])(O)C[C@]([H])(CC(=O)OC)C\C([H])=C([H])/C(=O)O1
InChI Identifier
InChI=1S/C35H49NO9/c1-21(16-27-20-43-25(5)36-27)10-8-11-23(3)34(41)24(4)29-19-30(38)35(6)31(45-35)15-14-22(2)28(37)17-26(18-33(40)42-7)12-9-13-32(39)44-29/h8-11,13-16,20,22,24,26,28-31,34,37-38,41H,12,17-19H2,1-7H3/b10-8+,13-9-,15-14-,21-16+,23-11+/t22-,24+,26-,28?,29?,30+,31-,34+,35?/m1/s1
InChI KeySYVYSCPBRIHWQE-VRAWKDPKSA-N