KEGG   COMPOUND: C20789
Entry
C20789                      Compound                               
Name
7-Deoxyloganetate;
(1S,4aS,7S,7aR)-1-Hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
Formula
C10H14O4
Exact mass
198.0892
Mol weight
198.22
Structure
Reaction
R10834 R12182 R12230
Pathway
map00902  Monoterpenoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.14.161     2.4.1.323
Other DBs
PubChem: 254741256
LinkDB
KCF data

ATOM        14
            1   C1y C     8.7730   -8.7647
            2   C1y C     8.7730   -7.3853
            3   C1y C     9.9520   -9.4662
            4   C1y C     7.4585   -9.1889
            5   C2y C     9.9520   -6.7071
            6   C1x C     7.4644   -6.9728
            7   O2x O    11.1487   -8.7647
            8   C1x C     6.6629   -8.0694
            9   C1a C     7.0274  -10.4799
            10  C2x C    11.1487   -7.3853
            11  C6a C     9.9462   -5.3465
            12  O6a O    11.1311   -4.6681
            13  O6a O     8.7613   -4.6740
            14  O1a O     9.9474  -10.8500
BOND        15
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Up
            9     5  10 2
            10    5  11 1
            11   11  12 1
            12   11  13 2
            13    6   8 1
            14    7  10 1
            15    3  14 1 #Up

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