KEGG   COMPOUND: C20894
Entry
C20894                      Compound                               
Name
beta-Citraurin;
3-Hydroxy-beta-apo-8'-carotenal;
3beta-Hydroxy-8'-apo-beta-carotenal
Formula
C30H40O2
Exact mass
432.3028
Mol weight
432.64
Structure
Reaction
R10843 R10844
Pathway
map00999  Biosynthesis of various plant secondary metabolites
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
1.13.11.84
Other DBs
CAS: 650-69-1
PubChem: 254741357
LinkDB
KCF data

ATOM        32
            1   C4a C    27.7475  -15.8102
            2   C2c C    26.5306  -16.5081
            3   C2b C    25.3218  -15.8018
            4   C1a C    26.5219  -17.9123
            5   C2b C    24.0962  -16.4995
            6   C2b C    22.8878  -15.8018
            7   C2c C    21.6708  -16.4912
            8   C2b C    20.4620  -15.7931
            9   C1a C    21.7321  -17.8953
            10  C2b C    19.2450  -16.4825
            11  C2b C    18.0365  -15.7846
            12  C2b C    16.8278  -16.4825
            13  C2c C    15.6194  -15.7931
            14  C2b C    14.4024  -16.4912
            15  C1a C    15.6108  -14.3890
            16  C2b C    13.1937  -15.8018
            17  C2b C    11.9854  -16.4995
            18  C2c C    10.7766  -15.8018
            19  C2b C     9.5680  -16.5081
            20  C1a C    10.7680  -14.3974
            21  C2b C     8.3596  -15.8102
            22  C2y C     7.1509  -16.5081
            23  C1z C     5.9339  -15.8102
            24  C2y C     7.1509  -17.9210
            25  C1x C     4.7168  -16.5165
            26  C1x C     5.9339  -18.6273
            27  C1a C     8.3596  -18.6189
            28  C1y C     4.7168  -17.9210
            29  O1a O     3.4913  -18.6189
            30  C1a C     6.9220  -14.8221
            31  C1a C     5.0807  -14.7011
            32  O4a O    28.9413  -16.5044
BOND        32
            1     1   2 1
            2     2   3 2
            3     2   4 1
            4     3   5 1
            5     5   6 2
            6     6   7 1
            7     7   8 2
            8     7   9 1
            9     8  10 1
            10   10  11 2
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14   13  15 1
            15   14  16 2
            16   16  17 1
            17   17  18 2
            18   18  19 1
            19   18  20 1
            20   19  21 2
            21   21  22 1
            22   22  23 1
            23   22  24 2
            24   23  25 1
            25   24  26 1
            26   24  27 1
            27   25  28 1
            28   28  29 1 #Up
            29   26  28 1
            30   23  30 1
            31   23  31 1
            32    1  32 2

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