KEGG   COMPOUND: C21561Help
Entry
C21561                      Compound                               

Name
Oryzalexin E;
ent-Sandaracopimaradiene-3beta,9alpha-diol;
(3R,4aR,4bS,7S,10aR)-7-Ethenyl-1,1,4a,7-tetramethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-2,4b-diol
Formula
C20H32O2
Exact mass
304.2402
Mol weight
304.4669
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00904  Diterpenoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
Other DBs
PubChem: 336445199
KCF data Show

ATOM        22
            1   C1z C    21.0685  -13.9644
            2   C1x C    18.6761  -13.9626
            3   C1x C    19.8861  -13.2790
            4   C1z C    18.6762  -15.3311
            5   C1x C    18.6675  -18.1061
            6   C1x C    19.8710  -17.4024
            7   C1y C    17.4058  -17.4045
            8   C1z C    17.4300  -16.0213
            9   C1x C    16.3131  -15.3195
            10  C1x C    15.1072  -15.9908
            11  C1y C    15.0884  -17.3740
            12  C1z C    16.2750  -18.0808
            13  C1a C    15.5166  -19.5931
            14  C1a C    17.4860  -14.6506
            15  C1a C    17.1665  -19.6656
            16  C2x C    21.0511  -15.3285
            17  C2y C    19.8710  -16.0063
            18  C2b C    22.4322  -13.9626
            19  C1a C    21.4077  -12.6420
            20  C2a C    23.3863  -14.9216
            21  O1a O    18.4609  -16.8293
            22  O1a O    13.8618  -18.0599
BOND        24
            1     9  10 1
            2    10  11 1
            3    11  12 1
            4    12   7 1
            5     8   4 1
            6     4  17 1
            7    17   6 1
            8    12  13 1
            9     3   2 1
            10    8  14 1 #Down
            11   12  15 1
            12    4   2 1
            13    1  16 1
            14    7   5 1
            15   16  17 2
            16    1   3 1
            17    1  18 1 #Up
            18    5   6 1
            19    1  19 1 #Down
            20    7   8 1
            21   18  20 2
            22    4  21 1 #Up
            23    8   9 1
            24   11  22 1 #Down

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