Met009713: Veranisatin B

  Metabolite Information

Name
Veranisatin B
IUPAC Name
methyl 5,7,11-trihydroxy-2-methyl-2',10-dioxospiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-7-carboxylate
Molecular Formula
C16H20O9
Molecular Weight
356.32
Exact Mass
356.1107322
SMILES
CC1CCC2(C13CC(C(C24COC4=O)(C(=O)OC)O)OC(=O)C3O)O
InChIKey
BPDHZCGFGOWILW-UHFFFAOYSA-N
InChI
InChI=1S/C16H20O9/c1-7-3-4-15(21)13(7)5-8(25-10(18)9(13)17)16(22,12(20)23-2)14(15)6-24-11(14)19/h7-9,17,21-22H,3-6H2,1-2H3
Other Databases Link
PubChem:127871

  Structure

  2D Structure
  3D Structure

  Classification 

(data sourced from ClassyFire)

Kingdom: Organic compounds
    Superclass: Lipids and lipid-like molecules
        Class: Prenol lipids
            Subclass: Terpene lactones

  Crops containing this metabolite

asparagus
avocado
banana
bittermelon
blueberry
broad_bean
broccoli
cabbage
carrot
cauliflower
cucumber
eggplant
garlic
grape
lemon
lentil
loquat
mango
okra
papaya
pea
pear
perilla
pineapple
spinach
taro
tomato
watermelon

  Metabolite Spectrum Accession Label

ASP00024n
ASP00206n
ASP00526n
AVO00006n
AVO00067n
AVO00435n
AVO00805n
AVO00833n
AVO01143n
AVO01188n
BAN00267n
BIT00003n
BLU00134n
BLU00420n
BLU00451n
BLU00534n
BROB00253n
BROC00109p
BROC00384n
BROC00866n
CAB00066n
CAB00166n
CAB00263n
CAR00247n
CAU00160n
CAU00519n
CUC00145n
CUC00146n
CUC00264n
CUC00367n
EGG00374n
GAR00015n
GRA00445n
LEM00130n
LEM00448n
LEM00559n
LEN00724n
LOQ00321n
MAN00401n
MAN00588n
OKR00041n
OKR00349n
OKR00578n
PAP00339p
PEA00168n
PEAR00225n
PER00247n
PIN00189n
SPI00540n
SPI00732n
SPI00753n
TAR00033p
TAR00075p
TOM00049n
TOM00293n
TOM00452n
TOM00760n
WAT00095n
WAT00147n
WAT00267n
WAT00409p