KEGG   COMPOUND: C09276Help
Entry
C09276                      Compound                               

Name
Marmesin;
(+)-Marmesin;
(S)-2-(2-Hydroxypropan-2-yl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one
Formula
C14H14O4
Exact mass
246.0892
Mol weight
246.2586
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01061  Biosynthesis of phenylpropanoids
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Coumarins
   Furanocoumarins
    C09276  Marmesin
BRITE hierarchy
Other DBs
CAS: 13849-08-6
PubChem: 11467
ChEBI: 6695
ChEMBL: CHEMBL442813
KNApSAcK: C00000584
3DMET: B02821
NIKKAJI: J14.029E
LinkDB All DBs
KCF data Show

ATOM        18
            1   C8y C    27.7200  -17.5000
            2   C8y C    27.7200  -16.1000
            3   C8x C    28.9100  -18.2000
            4   C1x C    26.3200  -17.9900
            5   C8x C    28.8400  -15.4000
            6   O2x O    26.2500  -15.7500
            7   C8y C    30.1000  -17.4300
            8   C1y C    25.4800  -16.8700
            9   C8y C    30.1000  -16.0300
            10  C8x C    31.3600  -18.1300
            11  C1d C    24.0800  -16.9400
            12  O7x O    31.2900  -15.3300
            13  C8x C    32.5500  -17.3600
            14  C1a C    23.3100  -15.7500
            15  C1a C    23.4500  -18.1300
            16  O1a O    22.8200  -16.9400
            17  C8y C    32.5500  -15.9600
            18  O6a O    33.7400  -15.1900
BOND        20
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     7  10 1
            10    8  11 1 #Up
            11    9  12 1
            12   10  13 2
            13   11  14 1
            14   11  15 1
            15   11  16 1
            16   12  17 1
            17   17  18 2
            18    6   8 1
            19    7   9 2
            20   13  17 1

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