Met004509: Didymocalyxin C
Metabolite Information
Name
Didymocalyxin C
IUPAC Name
5,6-dihydroxy-7,8-dimethoxy-2-[(E)-2-phenylethenyl]pyrano[2,3-b][1]benzofuran-4-one
Molecular Formula
C21H16O7
Molecular Weight
380.3
Exact Mass
380.0896029
SMILES
COC1=C(C(=C2C3=C(OC(=CC3=O)C=CC4=CC=CC=C4)OC2=C1OC)O)O
InChIKey
QXEBIXCIMOCZGN-CMDGGOBGSA-N
InChI
InChI=1S/C21H16O7/c1-25-19-17(24)16(23)15-14-13(22)10-12(9-8-11-6-4-3-5-7-11)27-21(14)28-18(15)20(19)26-2/h3-10,23-24H,1-2H3/b9-8+
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organoheterocyclic compounds
Class:
Furopyrans
Subclass:
NA
Crops containing this metabolite
asparagus
banana
broad_bean
cabbage
cauliflower
chestnut
chickpea
citrus
eggplant
garlic
ginger
kidney_bean
kiwifruit
lemon
lentil
loquat
mango
mung_bean
muskmelon
okra
papaya
parsley
pea
peanut
perilla
pineapple
potato
taro
watermelon
yam
banana
broad_bean
cabbage
cauliflower
chestnut
chickpea
citrus
eggplant
garlic
ginger
kidney_bean
kiwifruit
lemon
lentil
loquat
mango
mung_bean
muskmelon
okra
papaya
parsley
pea
peanut
perilla
pineapple
potato
taro
watermelon
yam
Metabolite Spectrum Accession Label
ASP00394n
BAN00366n
BROB00231n
CAB00191n
CAU00011n
CHE00522n
CHI00708n
CIT00459n
EGG00265n
GAR00397n
GIN01224n
KID00787n
KID00891n
KIW00021n
KIW00166n
LEM01024n
LEN00204n
LOQ00215n
MAN00618n
MUN00105n
MUS00041n
OKR00149n
PAP00195n
PAR01230p
PEA00429n
PEAN00730n
PER00778n
PIN00505n
POT00470n
TAR00065p
WAT00319n
YAM00176n
BAN00366n
BROB00231n
CAB00191n
CAU00011n
CHE00522n
CHI00708n
CIT00459n
EGG00265n
GAR00397n
GIN01224n
KID00787n
KID00891n
KIW00021n
KIW00166n
LEM01024n
LEN00204n
LOQ00215n
MAN00618n
MUN00105n
MUS00041n
OKR00149n
PAP00195n
PAR01230p
PEA00429n
PEAN00730n
PER00778n
PIN00505n
POT00470n
TAR00065p
WAT00319n
YAM00176n