KEGG   COMPOUND: C09804
Entry
C09804                      Compound                               
Name
cis-trans-Nepetalactol;
cis-trans-Iridodial lactol;
(+)-cis,trans-Nepetalactol;
(4aS,7S,7aR)-4,7-Dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol
Formula
C10H16O2
Exact mass
168.115
Mol weight
168.2328
Structure
Comment
Iridodial (tautomer) [CPD:C06069]
(+)-Iridodial (tautomer) [CPD:C09785]
Reaction
R12181 R12230 R12231 R12484 R12520
Pathway
map00902  Monoterpenoid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
1.1.1.419       1.14.14.161     5.5.1.34
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0102 C10 isoprenoids (monoterpenes)
    PR010207 Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids
     C09804  cis-trans-Iridodial lactol
Phytochemical compounds [BR:br08003]
 Terpenoids
  Monoterpenoids (C10)
   Iridoids
    C09804  cis-trans-Nepetalactol
Other DBs
PubChem: 11992
ChEBI: 26
LIPIDMAPS: LMPR0102070017
KNApSAcK: C00003085
3DMET: B03301
NIKKAJI: J20.701B
LinkDB
KCF data

ATOM        12
            1   C1y C    18.5111  -16.8531
            2   C1y C    18.5111  -15.4521
            3   C1y C    19.7235  -17.5598
            4   C1y C    17.1795  -17.2765
            5   C2y C    19.7235  -14.7513
            6   C1x C    17.1795  -15.0215
            7   O2x O    20.9360  -16.8591
            8   C1x C    16.3683  -16.1468
            9   C2x C    20.9360  -15.4521
            10  C1a C    19.7235  -13.3446
            11  C1a C    16.7390  -18.6041
            12  O1a O    19.7235  -18.9598
BOND        13
            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     5   9 2
            9     5  10 1
            10    6   8 1
            11    7   9 1
            12    4  11 1 #Up
            13    3  12 1

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